2HPV

Crystal structure of FMN-Dependent azoreductase from Enterococcus faecalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	94
Detector technology	CCD
Collection date	2005-11-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	98.038, 99.629, 106.737
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.780 - 2.000
R-factor	0.20183
Rwork	0.199
R-free	0.24952
Structure solution method	SAD
RMSD bond length	0.020
RMSD bond angle	1.660
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SCA2STRUCTURE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.800	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	64925
<I/σ(I)>	11.7
Completeness [%]	96.3	65.6
Redundancy	8.4	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	293	CRYSTALS WERE GROWN BY HANGING DROP VAPOR DIFFUSION USING 1 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN SOLUTION (10 MG/ML) AND A PRECIPITANT SOLUTION CONTAINING 0.09M HEPES/NAOH BUFFER, 1.26M TRI-SODIUM CITRATE DIHYDRATE, 10% V/V GLYCEROL, pH 7.5, temperature 293K