4HE5

Crystal structure of the selenomethionine variant of the C-terminal domain of Geobacillus thermoleovorans putative U32 peptidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 32 2 1
Unit cell lengths	45.550, 45.550, 60.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.000 - 1.150
R-factor	0.141
Rwork	0.141
R-free	0.17000
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	2.440
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.500	1.210
High resolution limit [Å]	1.150	1.150
Rmerge	0.036
Number of reflections	26349
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M tri-sodium citrate, 2 M ammonium sulfate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K