1B6W

CRYSTAL STRUCTURE OF THE SELENOMETHIONINE VARIANT OF HISTONE HMFB FROM METHANOTHERMUS FERVIDUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	29.990, 60.330, 74.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.000 - 2.050
R-factor	0.21
Rwork	0.210
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PARTIALLY REFINED ORTHORHOMBIC HMFA
RMSD bond length	0.013
RMSD bond angle	0.037
Data reduction software	DENZO
Data scaling software	CCP4 ((AGROVATA)
Phasing software	AMoRE ((CCP4))
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.000	2.080
High resolution limit [Å]	2.050	2.100 *
Rmerge	0.086 *	0.158 *
Number of reflections	11343
<I/σ(I)>	4.1	3.2
Completeness [%]	97.2 *	90.2 *
Redundancy	2.8	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *		pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-20 (mg/ml)
2	1	drop	potassium citrate	100 (mM)
3	1	drop	Tris-HCl	50 (mM)
4	1	reservoir	MES	0.1 (M)
5	1	reservoir	ammonium sulfate	0.2 (M)
6	1	reservoir	PEG5000 MME	30 (%(w/v))