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. 2012 Jul 17;68(Pt 8):1010–1018. doi: 10.1107/S0907444912019580

Table 4. Data-collection and refinement statistics for FtHAP.

Values in parentheses are for the outer resolution shell.

Cryoprotectant 2.0M proline 20% glycerol
Space group P41 P41
Unit-cell parameters () a = b = 62.0, c = 210.4 a = b = 62.0, c = 211.0
Wavelength () 1.00 1.00
Resolution () 48.61.75 (1.841.75) 46.51.75 (1.841.75)
No. of observations 341312 308938
Unique reflections 78960 76942
R merge(I) 0.032 (0.130) 0.065 (0.153)
R meas(I) 0.036 (0.160) 0.072 (0.199)
R p.i.m.(I) 0.015 (0.092) 0.030 (0.126)
Mean I/(I) 25.8 (5.7) 13.1 (3.1)
Completeness (%) 99.1 (95.3) 96.6 (81.1)
Multiplicity 4.3 (2.8) 4.0 (1.9)
Mosaicity () 0.18 0.24
No. of protein atoms 5035  
No. of water molecules 365  
No. of proline molecules 2  
R cryst 0.182  
R free 0.203  
R.m.s. deviations
Bond lengths () 0.006  
Bond angles () 1.007  
Ramachandran plot§, residues in
Favored regions 648  
Allowed regions 6  
Outliers 0  
Average B factor (2)
Protein 19  
Water 23  
Proline 24  
PDB code 4e3w  

5% test set.

Compared with the parameters of Engh Huber (1991).

§

The Ramachandran plot was generated with RAMPAGE (Lovell et al., 2003).