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. Author manuscript; available in PMC: 2011 Oct 20.
Published in final edited form as: J Am Chem Soc. 2010 Oct 20;132(41):14447–14456. doi: 10.1021/ja104118r

Table 1.

Data Collection and Model Refinement Statistics

Parameter HpNikR PDB code 3LGH
 Data collection
Wavelength 0.97946
Space group P212121
Unit-cell a(Ǻ), b(Ǻ), c(Ǻ) 89.5, 105.1, 48.2
Resolution range (Å) 50.0–2.37
Redundancy 4.3 (1.8)
No. of unique reflections 16660 (1,316)
Rmerge/Rpim (%)61–62 18.6/9.4
Completeness (%) 90.5 (73.6)
Mean [I/σI] 7.0 (1.0)
Matthews coefficient 2.22
Refinement statistics
Resolution range 39.3–2.37
No. of reflections 16595
Rcryst/Rwork (%)61,62 27.1/26.8
Rfree (No. of reflections) 31.8 (857)
No. of protein atoms 3472
No. of water molecules 62
Average Bf (Ǻ) 42.8
 Ramachandran statistics
Favored (%) 95.7
Outliers (%) 0.9
 RMSD from Ideality
Bond lengths (Ǻ) 0.011
Bond angles (deg.) 1.326