7JMA

Crystal structure of the apo form of Nitrogenase iron-molybdenum cofactor biosynthesis enzyme NifB from Methanothermobacter thermautotrophicus

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	2019-12-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	57.890, 57.890, 143.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.100 - 1.700
R-factor	0.1909
Rwork	0.190
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6y1x
RMSD bond length	0.006
RMSD bond angle	0.841
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.600	1.790
High resolution limit [Å]	1.700	1.700
Rpim	0.041	1.219
Number of reflections	27742	3932
<I/σ(I)>	9.7	1.6
Completeness [%]	99.9	100
Redundancy	18.1	18.4
CC(1/2)	0.997	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	293	0.1M MIB (pH5) 25 % w/v PEG 1500