1CP2

NITROGENASE IRON PROTEIN FROM CLOSTRIDIUM PASTEURIANUM

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	1993-11
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	67.600, 75.870, 53.550
Unit cell angles	90.00, 114.17, 90.00

Refinement procedure

Resolution	5.000 - 1.930
R-factor	0.209
Rwork	0.209
R-free	0.29700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nip
RMSD bond length	0.018
RMSD bond angle	24.100 *
Data reduction software	R-AXIS (IIC)
Data scaling software	REFSTAT
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.630	2.000
High resolution limit [Å]	1.930	1.930
Rmerge	0.072
Total number of observations	250737 *
Number of reflections	36808
<I/σ(I)>	5.8
Completeness [%]	98.8	91
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.5		PROTEIN WAS CRYSTALLIZED BY LIQUID-LIQUID DIFFUSION METHOD. PRECIPITANT CONTAINED 5-15% GLYCEROL, 18.75-22.5% PEG 4000, 230-270 MM CACL2, AND 50 MM HEPES PH 7.5. PROTEIN WAS STORED BEFORE CRYSTALLIZATION IN 20% GLYCEROL, 50 MM HEPES, PH 7.5, AND 2 MM NA2S2O4., liquid - liquid diffusion

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	glycerol	5-15 (%)
2	1	1	PEG4000	18.75-22.5 (%)
3	1	1		230-270 (mM)
4	1	1	HEPES	50 (mM)
5	1	2	glycerol	20 (%)
6	1	2		2 (mM)
7	1	2	HEPES	50 (mM)