5ZSR

NifS from Hydrogenimonas thermophila, soaked with L-cysteine for 8 min

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-24
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 65
Unit cell lengths	135.900, 135.900, 98.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.472 - 2.610
R-factor	0.1958
Rwork	0.194
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eg5
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.472	45.472	2.710
High resolution limit [Å]	2.610	10.000	2.610
Rmerge	0.132	0.027	0.982
Rmeas	0.145	0.030	1.078
Total number of observations	362267
Number of reflections	31566	1081	6537
<I/σ(I)>	13.73	55.03	2.17
Completeness [%]	99.5	99.1	99.2
Redundancy	5.88	5.644	5.851
CC(1/2)	0.996	0.999	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2M Magnesium chloride, 0.1M Tris-HCl, 20% (w/v) PEG 8000, 5mM L-cysteine