3ENT

Crystal structure of Nitrollin, a betagamma-crystallin from Nitrosospira multiformis-in alternate space group (P65)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-10-28
Detector	MAR 345dtb
Wavelength(s)	1.5418
Spacegroup name	P 65
Unit cell lengths	60.451, 60.451, 150.759
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.140
Rwork	0.207
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.265
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.220
High resolution limit [Å]	2.140	4.600	2.140
Rmerge	0.056	0.026	0.390
Number of reflections	16884
<I/σ(I)>	26.659
Completeness [%]	98.1	98.7	82.9
Redundancy	7.5	8.3	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	26% PEG3350, 0.2M NaCl, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K