1J7K

THERMOTOGA MARITIMA RUVB P216G MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-04-29
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	P 65
Unit cell lengths	86.217, 86.217, 82.142
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.650 - 1.800
R-factor	0.212 *
Rwork	0.212
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1in4
RMSD bond length	0.015
RMSD bond angle	1.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.760
High resolution limit [Å]	1.800	1.700
Rmerge	0.044	0.332 *
Total number of observations	136037 *
Number of reflections	37484
<I/σ(I)>	27	2.6
Completeness [%]	98.1	94.8
Redundancy	3.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	4.6	298	1M 1,6-hexanediol, 100 mM cobalt chloride, 100 mM sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	1,6-hexanediol	1 (M)
2	1	reservoir		100 (mM)
3	1	reservoir	sodium acetate	100 (mM)