1IN8

THERMOTOGA MARITIMA RUVB T158V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-03
Detector	ADSC QUANTUM 4
Wavelength(s)	1.10
Spacegroup name	P 65
Unit cell lengths	86.639, 86.639, 81.601
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.226
Rwork	0.226
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1in4
RMSD bond length	0.006
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]	30.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.038	0.128
Total number of observations	87639 *
Number of reflections	26948
<I/σ(I)>	23.8	8.2
Completeness [%]	99.2	97.6
Redundancy	3.4	2.2

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)