4UAJ

Crystal structure of NqrF in hexagonal space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 65 2 2
Unit cell lengths	145.220, 145.220, 90.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.534 - 2.702
R-factor	0.1914
Rwork	0.189
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u9u
RMSD bond length	0.002
RMSD bond angle	0.516
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.534		2.800
High resolution limit [Å]	2.700	10.000	2.700
Rmerge	0.227	0.032	1.427
Rmeas	0.232	0.032	1.459
Total number of observations	375456
Number of reflections	15815	374	1543
<I/σ(I)>	18.05	66.61	2.6
Completeness [%]	99.6	98.4	96
Redundancy	23.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		280	0.1 M MES NaOH pH 6.6, 2.2 M (NH4)2SO4, 0.6% PEG 400