4M1F

X-ray crystal structure of E. coli apo NrdF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	120
Detector technology	CCD
Collection date	2010-11-23
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 65 2 2
Unit cell lengths	78.511, 78.511, 267.294
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.987 - 2.000
R-factor	0.1774
Rwork	0.176
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3n37
RMSD bond length	0.007
RMSD bond angle	1.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.987	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	33502
<I/σ(I)>	25.6	2.4
Completeness [%]	98.7	96.5
Redundancy	10.6	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% PEG4000, 0.2 M sodium acetate, 0.2 M lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K