4U9U

Crystal structure of NqrF FAD-binding domain from Vibrio cholerae

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2007-04-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0, 1.07152, 1.07208, 1.0628
Spacegroup name	P 21 21 21
Unit cell lengths	73.430, 89.070, 90.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.550
R-factor	0.1635
Rwork	0.162
R-free	0.19640
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.419
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000	45.000	1.650
High resolution limit [Å]	1.550	10.000	1.550
Rmerge	0.109	0.053	2.987
Rmeas	0.111	0.054	3.076
Total number of observations	1925204
Number of reflections	86120	377	14453
<I/σ(I)>	16.51	43.92	0.96
Completeness [%]	99.4	97.4	98.4
Redundancy	22.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	35% PEG4000, 0.1M citric acid NaOH, pH5, 0.2M magnesium acetate