2QML

Crystal structure of an uncharacterized protein (bh2621) from bacillus halodurans at 1.55 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97920, 0.91837, 0.97891
Spacegroup name	P 41 21 2
Unit cell lengths	80.780, 80.780, 70.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.560 - 1.550
R-factor	0.181
Rwork	0.179
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.679
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]	28.560	28.560	1.610
High resolution limit [Å]	1.550	3.330	1.550
Rmerge	0.054	0.023	0.945
Number of reflections	34417	6479	6837
<I/σ(I)>	12.33	40.5	1.33
Completeness [%]	99.3	98.4	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	NANODROP, 0.2M Sodium chloride, 2.0M Ammonium sulfate, 0.1M Sodium cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K