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. 2012 Oct 30;68(Pt 11):1359–1362. doi: 10.1107/S1744309112039036

Values in parentheses are for the outer shell.

Mutant N2D K3N K21Q L27D R30Q K31Q L35S
Wavelength (Å) 0.97 0.91 0.97 0.97 1.0 0.91 1.0
Crystal-to-detector distance (mm) 200 250 250 270 300 200 210
Rotation range per image (°) 0.5 0.5 0.5 0.4 1.0 0.3 0.5
Total rotation range (°) 90 140 90 120 150 120 160
Exposure time per image (s) 20 30 30 60 60 10 20
Space group P41212 P41212 P41212 P41212 P212121 P41212 P41212
Unit-cell parameters
a (Å) 58.3 64.5 58.0 64.9 58.6 58.2 65.8
b (Å) 58.3 64.5 58.0 64.9 76.0 58.2 65.8
c (Å) 101.7 101.2 101.2 100.9 100.6 102.2 101.3
 α = γ (°) 90 90 90 90 90 90 90
 β 90 90 90 90 90 90 90
Resolution range (Å) 30–1.65 (1.70–1.65) 20–2.70 (2.77–2.70) 30–2.30 (2.36–2.30) 30–2.81 (2.88–2.81) 20–3.00 (3.08–3.00) 20–1.80 (1.85–1.80) 20–2.00 (2.05–2.00)
Total No. of reflections 99921 67814 41115 46757 43544 159455 191753
No. of unique reflections 21068 6311 8082 5609 9332 16817 15619
Completeness (%) 97.4 (78.9) 99.5 (100) 99.2 (97.6) 98.8 (98.0) 98.4 (95.5) 98.7 (99.8) 99.8 (98.2)
Multiplicity 4.7 (2.0) 10.7 (11.2) 5.1 (4.7) 8.3 (7.9) 4.7 (4.6) 9.5 (9.2) 12.3 (9.7)
I/σ(I)〉 15.2 (1.5) 14.5 (3.1) 11.1 (2.2) 12.7 (3.4) 9.0 (1.2) 19.0 (2.5) 19.8 (1.7)
R meas 0.090 (0.703) 0.181 (0.838) 0.153 (0.846) 0.156 (0.717) 0.142 (1.885) 0.117 (0.981) 0.104 (1.574)
CC1/2 § (%) 99.8 (62.5) 99.7 (95.0) 99.5 (70.9) 99.6 (94.7) 99.7 (47.9) 99.9 (78.0) 99.9 (84.8)
Overall B factor from Wilson plot (Å2) 19 37 32 38 81 22 41
Protein monomers per asymmetric unit 1 1 1 1 2 1 1
Solvent content (%) 57 65 57 65 67 57 66
Phaser Z-score 27 45 26 41 28 24 31