3ZHO

X-ray structure of E.coli Wrba in complex with FMN at 1.2 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 41 21 2
Unit cell lengths	61.150, 61.150, 169.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.460 - 1.200
R-factor	0.14846
Rwork	0.147
R-free	0.17040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r97
RMSD bond length	0.008
RMSD bond angle	1.373
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.700	1.230
High resolution limit [Å]	1.200	1.200
Rmerge	0.060	0.680
Number of reflections	97715
<I/σ(I)>	14.3	2.2
Completeness [%]	96.6	75.1
Redundancy	7.6	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				WRBA-FAD AT A CONCENTRATION OF 5 MG/ML IN 20 MM TRIS PH 6.5 CRYSTALLYZED AGAINST WELL CONTAINING 28% PEG 3350 AND 0.05 M BIS-TRIS-HCL, PH 6.5.