1M1N

Nitrogenase MoFe protein from Azotobacter vinelandii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.992
Spacegroup name	P 1 21 1
Unit cell lengths	108.310, 131.630, 159.159
Unit cell angles	90.00, 108.37, 90.00

Refinement procedure

Resolution	50.000 - 1.160
R-factor	0.12349
Rwork	0.123
R-free	0.14900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3min
RMSD bond length	0.020 *
RMSD bond angle	2.251
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.180
High resolution limit [Å]	1.160	1.160
Rmerge	0.090	0.485 *
Total number of observations	25851165 *
Number of reflections	1390520
<I/σ(I)>	10	1.6
Completeness [%]	95.6	90
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8	298	PEG 8000, sodium chloride, TRIS, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	13 (%)
2	1	reservoir		1 (M)
3	1	reservoir	tris-hydroxymethyl-aminomethane/HCl	0.1 (M)	pH8.0
4	1	drop	protein	30 (mg/ml)