1QH8

NITROGENASE MOFE PROTEIN FROM KLEBSIELLA PNEUMONIAE, AS-CRYSTALLIZED (MIXED OXIDATION) STATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-07-01
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	203.030, 74.900, 162.120
Unit cell angles	90.00, 122.80, 90.00

Refinement procedure

Resolution	50.000 - 1.600
R-factor	0.155 *
Rwork	0.155
R-free	0.19700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1MIN
RMSD bond length	0.013
RMSD bond angle	0.028
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.044	0.227
Number of reflections	265023
<I/σ(I)>	22.4	3.82
Completeness [%]	98.0	84.7
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	liquid diffusion *	8	17 *	CRYSTALLIZED ANAEROBICALLY USING LIQUID-LIQUID DIFFUSION TECHNIQUE. FINAL CONCENTRATIONS AFTER EQUILIBRATION WERE: 7% (W/V) PEG 6000, 0.4 - 0.6 M MGCL2, 50 MM TRIS-HCL PH 8, 3.3 MG/ML PROTEIN., pH 8.0, temperature 100K PRIOR TO DATA COLLECTION THE CRYSTAL WAS TRANSIENTLY SOAKED IN CRYOPROTECTANT (MOTHER LIQUOR WITH 25% ETHYLENE GLYCOL) CONTAINING 2 MM SODIUM DITHIONITE (A REDUCTANT).

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG6000	7 (%(w/v))
2	1	1		0.4-0.6 (M)
3	1	1	Tris-HCl	50 (mM)
4	1	2	protein	3.3 (mg/ml)