6VXT

Activated Nitrogenase MoFe-protein from Azotobacter 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	2019-12-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	163.535, 203.435, 83.857
Unit cell angles	90.00, 103.94, 90.00

Refinement procedure

Resolution	41.710 - 1.740
R-factor	0.1726
Rwork	0.172
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u7q
RMSD bond length	0.007
RMSD bond angle	0.851
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.730	1.730
Rmeas	0.150
Rpim	0.060	0.970
Number of reflections	263634	23896
<I/σ(I)>	17.4
Completeness [%]	96.8	71.9
Redundancy	6.1	4
CC(1/2)	0.989	0.322

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	14-19 % w/v PEG smear high, 0.16 M ammonium acetate, 0.1 M sodium citrate(pH 5.0), 25.6 % v/v glycerol, 5 mM sodium dithionite