1GWS

hexadecaheme high molecular weight cytochrome Hmc from Desulfovibrio vulgaris Hildenborough

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	2001-05-15
Detector	MARRESEARCH
Spacegroup name	P 62
Unit cell lengths	108.386, 108.386, 102.809
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.520 - 2.420 *
Rwork	0.201
R-free	0.27800 *
Structure solution method	MAD
RMSD bond length	0.028
RMSD bond angle	2.675
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC (5.0.36)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000	2.590
High resolution limit [Å]	2.420 *	2.500
Rmerge	0.061 *	0.331 *
Number of reflections	23044
<I/σ(I)>	7.3	1.9
Completeness [%]	99.4 *	99.2 *
Redundancy	7.6 *	7.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		30% JEFFAMINE M-600, MES PH 6.5, 50 MM CSCL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Jeffamine M-600	30 (%)
2	1	reservoir	cesium chloride	50 (mM)
3	1	reservoir	MES	100 (mM)	pH6.5
4	1	drop	protein	6 (mg/ml)