4MEA

Crystal structure of the Cif epoxide hydrolase from Acinetobacter nosocomialis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-27
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	85.688, 42.584, 86.470
Unit cell angles	90.00, 98.10, 90.00

Refinement procedure

Resolution	42.417 - 1.950
R-factor	0.1476
Rwork	0.146
R-free	0.18610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kd2
RMSD bond length	0.007
RMSD bond angle	1.028
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall
Low resolution limit [Å]	42.420
High resolution limit [Å]	1.950
Number of reflections	45537
Completeness [%]	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	291	100 mM monopotassium phosphate, 100 mM sodium citrate, 20% PEG 4000, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K