1HBN

METHYL-COENZYME M REDUCTASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-04-15
Detector	MAR scanner 345 mm plate
Spacegroup name	P 1 21 1
Unit cell lengths	81.720, 116.883, 122.582
Unit cell angles	90.00, 92.02, 90.00

Refinement procedure

Resolution	30.000 - 1.160
R-factor	0.124 *
Rwork	0.124
R-free	0.14900 *
Structure solution method	MIR
RMSD bond length	0.016
RMSD bond angle	2.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.230
High resolution limit [Å]	1.160	1.160
Rmerge	0.067 *	0.333 *
Number of reflections	735767
<I/σ(I)>	18	3
Completeness [%]	93.1 *	89.5 *
Redundancy	3.9 *	2.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	4 *	25% PEG 400, 0.2 M NACL, 20 MG/ML FINAL PROTEIN CONC 0.2 M MGCL, 0.1 M HEPES PH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG400	20-25 (%)
2	1	reservoir		200 (mM)
3	1	reservoir		200 (mM)
4	1	reservoir	Tris-HCl	100 (mM)
5	1	reservoir	glycerol	20 (%(w/w))
6	1	drop	protein	50 (mg/ml)
7	1	drop	Tris-HCl	10 (mM)