8CCV

E. coli NfsB mutant T41LN71S with nicotinate

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	2013-07-28
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934
Spacegroup name	P 41 21 2
Unit cell lengths	56.862, 56.862, 263.866
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.800 - 2.200
R-factor	0.18077
Rwork	0.178
R-free	0.23657
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.696
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	2.257
High resolution limit [Å]	2.200	2.200
Number of reflections	22338	1206
<I/σ(I)>	24.9
Completeness [%]	96.5	77.11
Redundancy	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	18% PEG 4,000; 200 mM Na Acetate, 15 mM Ethylene glycol