1W9M

AS-isolated hybrid cluster protein from Desulfovibrio vulgaris X-ray structure at 1.35A resolution using iron anomalous signal

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	64.270, 66.843, 134.764
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.350
R-factor	0.1282
R-free	0.17740
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	0.027
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.420	1.360
High resolution limit [Å]	1.350	1.350
Rmerge	0.059	0.350
Number of reflections	127993
<I/σ(I)>	10.4	3.45
Completeness [%]	100.0	100
Redundancy	2.4	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	277	25% PEG 4000, 0.1M MES, PH 6.5, T=277K