7JRF

CO-CO-BOUND NITROGENASE MOFE-PROTEIN FROM A. VINELANDII

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-01
Detector	PSI PILATUS 6M
Wavelength(s)	0.9998
Spacegroup name	P 1 21 1
Unit cell lengths	77.052, 129.974, 107.223
Unit cell angles	90.00, 109.11, 90.00

Refinement procedure

Resolution	39.630 - 1.330
R-factor	0.1177
Rwork	0.116
R-free	0.15000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u7q
RMSD bond length	0.016
RMSD bond angle	1.939
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.630	1.400
High resolution limit [Å]	1.330	1.330
Rmerge	0.085	0.883
Rpim	0.041	0.434
Number of reflections	447443	65111
<I/σ(I)>	10.4	1.8
Completeness [%]	98.4	98.1
Redundancy	5.1	5
CC(1/2)	0.998	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Peg 4000, sodium chloride, imidazole / malate, glycerol, spermine