5BOV

Crystal structure of a putative epoxide hydrolase (KPN_01808) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.60 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-26
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97907
Spacegroup name	P 1
Unit cell lengths	44.199, 81.866, 89.925
Unit cell angles	101.00, 106.90, 100.84

Refinement procedure

Resolution	42.848 - 1.600
R-factor	0.1498
Rwork	0.148
R-free	0.17390
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.785
Data reduction software	XDS
Data scaling software	XSCALE (November 3, 2014 BUILT=20141118)
Phasing software	SHELX
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.848	42.848	1.660
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.078	0.032	0.655
Rmeas	0.091	0.037	0.758
Total number of observations	572981
Number of reflections	146333	15045	15055
<I/σ(I)>	11.66	30.6	2
Completeness [%]	96.8	98.8	95.2
Redundancy	3.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M bicine pH 9, 30% polyethylene glycol 6000