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The EMBO Journal (1998) 17, 2947–2960, doi:10.1093/emboj/17.10.2947 Table 2 The crystal structure of asparaginyl-tRNA synthetase from Thermus thermophilus and its complexes with ATP and asparaginyl-adenylate: the mechanism of discrimination between asparagine and aspartic acid Carmen Berthet-Colominas, Laurence Seignovert, Michael Härtlein, Morten Grotli, Stephen Cusack and Reuben Leberman

Table 2: Data collection and phasing statistics Structure solution   AsnRS Native SmNO3 Uacetate Beamline BM14 BM14 BM14 Detector 300 mm Mar 300 mm Mar 300 mm Mar Wavelength 0.93 Å 0.93 Å 0.88 Å Exposure/image 120 s/1° 120 s/0.8° 150 s/1° No. of crystals 1 (frozen) 1 (frozen) 1 (frozen) Resolution 31–2.8 Å 31–2.8 Å 43–2.6 Å Total reflections 73 000 160 045 70 630 Unique reflections 14 619 14 864 17 567 Average redundancy 5.0 10.8 4.0 Completeness 98.9 100 96.3 R-merge (highest bin) 0.067 (0.250) 0.065 (0.157) 0.033 (0.075) Heavy-atom refinement and phasing Resolution used 2.85 Å 4 Å 2.85 Å No. of sites   1 2 Phasing power   1.33 1.70 R-cullis   0.74 0.68 Mean figure of merit         acentric 0.409       centric 0.631       all 0.444     Substrate complexes   Asn-adenylate AsnRS + Asn-AMS AsnRS-ATP Beamline BM14 BM14 Swiss–Norwegian Detector 300 mm Mar 300 mm Mar 300 mm Mar Wavelength 1.002 Å 0.890 Å 0.87 Å Exposure/image 360 s/1° 160 s/1° 360 s/0.8° Space group P6422 P6422 P6522 No. of crystals 1 (frozen) 1 (frozen) 1 (frozen) Resolution 27–3.2 Å 15–2.62 Å 24–2.95 Å Total reflections 46 376 120 269 168 818 Unique reflections 9777 16 965 23 382 Average redundancy 4.7 7.1 7.2 Completeness 99.8 94.5 94.5 R-merge (highest bin) 0.081 (0.27) 0.052 (0.262) 0.105 (0.271)

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