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. 2004 Feb 19;23(5):1000–1007. doi: 10.1038/sj.emboj.7600115

Table 1.

Summary of crystallographic data and refinement

Data collection  
 Space group P212121
 Cell constants (Å) a=32.926, b=53.833, c=53.912
 Wavelength (Å) 0.9796
 Resolution (Å) 1.6
 Last shell (Å) 1.65–1.59
 No. of unique reflections (last shell) 24 672 (2382)
 Redundancy (last shell) 7.0 (4.1)
Rsym (last shell) (%) 3.2 (6.0)
I/sigma (last shell) 41 (21)
 Completeness (last shell) (%) 99.5 (95.7)
 Figure of merit (last shell) 0.45 (0.40)
 Phasing power (last shell) 2.52 (1.78)
   
Refinement  
 Resolution (Å) 20.0–1.6
Rwork/Rfree (%) 23.2 (25.0)
 rmsd bond lengths (Å) 0.00526
 rmsd bond angles (deg) 1.169
 rmsd improper angles (deg) 0.76
 rmsd dihedral angles (deg) 21.0
 Residues in favored Ramachandran region 91
 Residues in additionally allowed region 1
 Residues in generously or disallowed region 0
B value rmsd (main/side) 1.0/2.2
 No. of water molecules
100
Rsym=∑∑jIj−〈I〉∣/∑Ij.
Phasing power=[∑∣F+F2/∑∣E2]1/2, where the denominator is the lack of closure error.
Rwork, free=∑∣∣Fobs∣−∣Fcalc∣∣/∣Fobs∣ for the reflections used in refinement (work) and 10% of reflections held aside (free).
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