8OG3

E. coli NfsB triple mutant T41L/N71S/F124T bound to citrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-29
Detector	MAR CCD 165 mm
Wavelength(s)	0.933
Spacegroup name	P 41 21 2
Unit cell lengths	57.263, 57.263, 263.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.990 - 2.090
R-factor	0.16717
Rwork	0.165
R-free	0.21796
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.589
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.990	2.148
High resolution limit [Å]	2.090	2.094
Number of reflections	27043	1910
<I/σ(I)>	21.17	5.54
Completeness [%]	99.8	98.45
Redundancy	7.16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	13% PEG 4,000; 100 mM Na Acetate, 15% Ethylene glycol, 100 mM Citrate