3BWW

Crystal structure of a duf692 family protein (hs_1138) from haemophilus somnus 129pt at 2.20 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.91840, 0.97939, 0.97953
Spacegroup name	P 21 21 21
Unit cell lengths	53.572, 65.992, 95.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.689 - 2.200
R-factor	0.198
Rwork	0.195
R-free	0.26000
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.707
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.689	28.689	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.110	0.074	0.600
Total number of observations		685	4567
Number of reflections	17792
<I/σ(I)>	4.5	5.6	0.7
Completeness [%]	99.9	94	100
Redundancy	3.6	3.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.33	293	NANODROP, 7.5% PEG 8000, 34.0% 2-methyl-2,4-pentanediol, 0.1M Sodium cacodylate pH 6.33, VAPOR DIFFUSION, SITTING DROP, temperature 293K