1Z77

Crystal structure of transcriptional regulator protein from Thermotoga maritima.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.91932
Spacegroup name	P 21 21 2
Unit cell lengths	56.043, 65.684, 55.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.23129
Rwork	0.229
R-free	0.26671
Structure solution method	SAD/SAD
RMSD bond length	0.022
RMSD bond angle	1.667
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.070	0.539
Number of reflections	15569
<I/σ(I)>	24.84	3.3
Completeness [%]	98.5	100
Redundancy	8.1	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	0.05M Na citrate, 30% w/v PEG 2K MME, 0.1M KSCN, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	0.05M Na citrate, 30% w/v PEG 2K MME, 0.1M KSCN, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K