1KGS

Crystal Structure at 1.50 A of an OmpR/PhoB Homolog from Thermotoga maritima

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-04-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9640, 0.9796, 0.9797
Spacegroup name	P 1 21 1
Unit cell lengths	34.570, 71.267, 54.605
Unit cell angles	90.00, 106.56, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.1806
Rwork	0.179
R-free	0.20984
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.650
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.570
High resolution limit [Å]	1.500	1.500
Rmerge	0.052	0.139
Number of reflections	40466	5891 *
<I/σ(I)>	7.5	5
Completeness [%]	99.6	100
Redundancy	5.4	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	matrix screening kits *	6.5	295	Protein at 12-25 mg/ml in 0.0125 M tris(hydroxymethyl)amino methane (TRIS) pH 8.0, 0.50 M NaCl; precipitating solution: 20% (w/v) PEG 3350, 0.10 M 2-(N-Morpholino)ethanesulfonic acid (MES) pH 6.5, 0.20 M potassium thiocyanate (KSCN), VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	MES	100 (mM)	pH6.5
2	1	1	PEG3350	10 (%)
3	1	1	KSCN	200 (mM)