2BNG

Structure of an M.tuberculosis LEH-like epoxide hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	287
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 32 2 1
Unit cell lengths	81.901, 81.901, 117.025
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.224
Rwork	0.222
R-free	0.25400
Structure solution method	SAD
RMSD bond length	0.023
RMSD bond angle	1.962
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.900	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.100	0.330
Number of reflections	16247
<I/σ(I)>	29	8.8
Completeness [%]	100.0	100
Redundancy	21.2	21.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1