3TAH

Crystal structure of an S. thermophilus NFeoB N11A mutant bound to mGDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-02-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	60.100, 63.800, 265.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.850
R-factor	0.17776
Rwork	0.176
R-free	0.21612
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lx8
RMSD bond length	0.010
RMSD bond angle	1.502
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge		0.039	0.379
Number of reflections	43892
<I/σ(I)>	24.9		2.5
Completeness [%]	99.3	98.6	93.4
Redundancy	6.2		3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.2M LiCl, 0.1M Mes, 20% PEG 6000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K