3CJX

Crystal structure of a protein of unknown function with a cupin-like fold (reut_b4571) from ralstonia eutropha jmp134 at 2.60 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537, 0.9798, 0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	79.210, 89.130, 212.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.604 - 2.600
R-factor	0.205
Rwork	0.203
R-free	0.23700
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.653
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.604	29.604	2.690
High resolution limit [Å]	2.600	5.570	2.600
Rmerge	0.058	0.025	0.346
Number of reflections	46886	8682	8230
<I/σ(I)>	11.56	24.9	2.3
Completeness [%]	98.0	94.8	95.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	NANODROP, 1.6M (NH4)2SO4, 0.1M Citrate pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K