1G20

MGATP-BOUND AND NUCLEOTIDE-FREE STRUCTURES OF A NITROGENASE PROTEIN COMPLEX BETWEEN LEU127DEL-FE PROTEIN AND THE MOFE PROTEIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-04-20
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	264.240, 111.460, 121.590
Unit cell angles	90.00, 97.40, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.219 *
Rwork	0.218
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2min
RMSD bond length	0.009
RMSD bond angle	1.830
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.112	0.296
Total number of observations	1092580 *
Number of reflections	157699
<I/σ(I)>	15
Completeness [%]	94.7 *	83.2
Redundancy	6.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	8.5	298	PEG 4000, sodium acetate, Tris-HCl. Ph 8.8, pH 8.5, microcapillary batch diffusion, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG4000	30 (%)
2	1	1		0.2 (M)
3	1	1	Tris	0.1 (M)
4	1	1	sodium dithionite	1 (mM)