2O5A

Crystal structure of Q9KD89 from Bacillus halodurans. Northeast Structural Genomics target BhR21

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Wavelength(s)	0.97903, 0.97937, 0.96791
Spacegroup name	P 21 21 2
Unit cell lengths	119.936, 32.021, 59.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.2511
Rwork	0.251
R-free	0.27830
Structure solution method	MAD
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	RESOLVE (2.08)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.087	0.051	0.369
Number of reflections	12143
<I/σ(I)>	10.5
Completeness [%]	99.8	99.7	99.5
Redundancy	7.2	7.6	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	11% PEG 400, 100mM MES pH 6.0, 200mM MnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6	291	11% PEG 400, 100mM MES pH 6.0, 200mM MnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	6	291	11% PEG 400, 100mM MES pH 6.0, 200mM MnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 291K