3K9T

Crystal structure of putative peptidase (NP_348812.1) from CLOSTRIDIUM ACETOBUTYLICUM at 2.37 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	2009-07-31
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97911
Spacegroup name	H 3 2
Unit cell lengths	153.782, 153.782, 168.378
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.062 - 2.370
R-factor	0.171
Rwork	0.169
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.609
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.062	29.060	2.430
High resolution limit [Å]	2.370	10.600	2.370
Rmerge	0.189	0.010	0.010
Total number of observations		1780	12651
Number of reflections	31178
<I/σ(I)>	9	8.6	0.8
Completeness [%]	99.9	95.3	100
Redundancy	5.5	4.8	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.2000M MgCl2, 40.0000% MPD, 0.1M Imidazole pH 8.0, Additive: 0.006M Zinc Chloride, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K