1O5L

Crystal structure of Transcriptional regulator (TM1171) from Thermotoga maritima at 2.30 A resolution

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	2003-06-19
Detector	ADSC
Spacegroup name	P 61 2 2
Unit cell lengths	62.971, 62.971, 167.103
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 * - 2.300
R-factor	0.19743
Rwork	0.195
R-free	0.25300 *
Structure solution method	SAD
RMSD bond length	0.017 *
RMSD bond angle	1.503 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.300 *	2.310 *
Rmerge	0.082 *	0.320 *
Total number of observations	73376 *
Number of reflections	9367 *
<I/σ(I)>	22.26	1.53
Completeness [%]	99.4 *	99.2 *
Redundancy	5.82	5.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.5 *	4 *	10% PEG-3000, 0.1M CHES pH 9.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.0 (M)	pH5.5