1G1M

ALL-FERROUS NITROGENASE IRON PROTEIN FROM AZOTOBACTER VINELANDII

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	113.15
Detector technology	IMAGE PLATE
Collection date	1999-12-21
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	57.000, 93.300, 62.800
Unit cell angles	90.00, 98.90, 90.00

Refinement procedure

Resolution	18.000 - 2.250
Rwork	0.238
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.700
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.390
High resolution limit [Å]	2.250	2.250
Rmerge	0.054	0.306 *
Total number of observations	154673 *
Number of reflections	28724
<I/σ(I)>	21.3
Completeness [%]	93.2	85.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	8	295	26-29% PEG 4000, 700-900 mM NaCl, 100 mM Tris (pH 8.0), 20% glycerol, capillary microbatch method at 295 K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG4000	26-29 (%)
2	1	1		700-900 (mM)
3	1	1	Tris	100 (mM)
4	1	2	protein	30 (mg/ml)
5	1	2	glycerol	20 (%)
6	1	2		450 (mM)
7	1	2	Tris	50 (mM)