1SIW

Crystal structure of the apomolybdo-NarGHI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-08-28
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0781
Spacegroup name	C 2 2 21
Unit cell lengths	154.001, 241.282, 140.387
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.730 - 2.200
R-factor	0.203
Rwork	0.203
R-free	0.24400
Structure solution method	CNS refinement
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	128499
<I/σ(I)>	14.3	2.8
Completeness [%]		85.2
Redundancy	4.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	peg 3000, hepes, sodium acetate, potassium chloride, edta, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K