3FZQ

Crystal structure of putative haloacid dehalogenase-like hydrolase (YP_001086940.1) from Clostridium difficile 630 at 2.10 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	2008-11-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97882, 0.97828
Spacegroup name	P 1 21 1
Unit cell lengths	49.232, 55.737, 116.778
Unit cell angles	90.00, 96.97, 90.00

Refinement procedure

Resolution	29.828 - 2.100
R-factor	0.19
Rwork	0.188
R-free	0.23000
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.635
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.828	29.828	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.108	0.070	0.503
Total number of observations		1378	9838
Number of reflections	36707
<I/σ(I)>	10.4	32.2	2.1
Completeness [%]	99.9	96.9	99.6
Redundancy	3.7	3.2	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.1	277	NANODROP, 0.20M Na2HPO4, 20.0% PEG 3350, No Buffer pH 9.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K