3KL7

Crystal structure of Putative metal-dependent hydrolase (YP_001302908.1) from Parabacteroides distasonis ATCC 8503 at 2.30 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-15
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 32 2 1
Unit cell lengths	95.034, 95.034, 63.295
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.540 - 2.300
R-factor	0.166
Rwork	0.164
R-free	0.20400
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.059
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]	29.540	29.540	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.220	0.013	0.013
Total number of observations		1160	8211
Number of reflections	14896
<I/σ(I)>	10.2	37.5	1.8
Completeness [%]	99.6	95.8	99
Redundancy	7.4	6.3	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	38.0000% polyethylene glycol 300, 0.2500M calcium acetate, 0.1M sodium cacodylate pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K