1EBB

Bacillus stearothermophilus YhfR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2001-01-15
Detector	OXFORD
Spacegroup name	P 41 21 2
Unit cell lengths	55.200, 55.200, 164.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.300
R-factor	0.23
Rwork	0.230
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1TIP 5PGM +HOMOLOGY MODEL
RMSD bond length	0.006
RMSD bond angle	22.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.109	0.706
Number of reflections	11896
<I/σ(I)>	19.5	1.3
Completeness [%]	99.5	98.8
Redundancy	12.2	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4 *	22 *	45 % POLYETHYLENE GLYCOL 4,000, 120 MM LITHIUM SULFATE, 20 MM TRIS.HCL BUFFER, PH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH7.4
3	1	drop	dithiothreitol	1 (mM)
4	1	drop	EDTA	2 (mM)
5	1	drop		150 (mM)
6	1	reservoir	PEG4000	45 (%(w/v))
7	1	reservoir	lithium sulfate	120 (mM)
8	1	reservoir	Tris-HCl	20 (mM)	pH8.0