2Q9K

Crystal structure of a putative oxidoreductase (exig_1997) from exiguobacterium sibiricum 255-15 at 1.59 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97908
Spacegroup name	P 31 2 1
Unit cell lengths	56.314, 56.314, 95.205
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.997 - 1.590
R-factor	0.206
Rwork	0.203
R-free	0.25200
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.654
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.997	26.997	1.630
High resolution limit [Å]	1.590	7.110	1.590
Rmerge	0.067	0.039	0.832
Total number of observations		1869	11754
Number of reflections	24172
<I/σ(I)>	5.9	15	0.9
Completeness [%]	100.0	97.8	100
Redundancy	7.1	5.9	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	NANODROP, 0.17M Sodium acetate, 25.5% PEG 4000, 15.0% Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K