1L5H

FeMo-cofactor Deficient Nitrogenase MoFe Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.965
Spacegroup name	C 2 2 21
Unit cell lengths	150.452, 191.922, 102.339
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.249 *
Rwork	0.249
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3min
RMSD bond length	0.008
RMSD bond angle	1.380
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.088	0.440
Total number of observations	1632866 *
Number of reflections	60354
<I/σ(I)>	15.7	2.2
Completeness [%]	91.6	87.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	9.5	298	PEG 8000, CHES, pH 9.5, LIQUID DIFFUSION, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20 (%)
2	1	reservoir	CHES	0.1 (M)	pH9.5