5KOJ

Nitrogenase MoFeP protein in the IDS oxidized state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	77
Detector technology	CCD
Collection date	2016-06-27
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	201.569, 201.569, 132.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.590 - 2.592
R-factor	0.16999
Rwork	0.168
R-free	0.20805
RMSD bond length	0.014
RMSD bond angle	1.723
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.590	2.684
High resolution limit [Å]	2.592	2.592
Rmerge	0.411	1.650
Number of reflections	79965
<I/σ(I)>	18	2.61
Completeness [%]	100.0	99
Redundancy	22.5	21.5
CC(1/2)	0.986	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	50% MPD , 300 mM NaCl, 100 mM Na Cacodylate, pH 6.5, 1 mM Spermine, and 0.43 mM Indigo Carmine