2QYV

Crystal structure of putative Xaa-His dipeptidase (YP_718209.1) from Haemophilus somnus 129PT at 2.11 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)	0.97920, 0.91837, 0.97908
Spacegroup name	P 21 21 2
Unit cell lengths	173.922, 84.293, 123.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.836 - 2.110
R-factor	0.221
Rwork	0.220
R-free	0.24400
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.271
Data reduction software	XDS
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]	47.836	47.836	2.220
High resolution limit [Å]	2.110	6.670	2.110
Rmerge	0.086	0.025	0.584
Total number of observations		12067	56494
Number of reflections	102365
<I/σ(I)>	8.2	20.9	1.3
Completeness [%]	98.1	93.5	99.4
Redundancy	3.8	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.9	277	NANODROP, 2.0M (NH4)2SO4, 5.0% Isopropanol, 0.1M Citrate pH 4.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K