3QH7

2.5 A resolution structure of Se-Met labeled CT296 from Chlamydia trachomatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-01-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 2
Unit cell lengths	50.827, 63.663, 46.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.721 - 2.497
R-factor	0.2059
Rwork	0.203
R-free	0.25840
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.933
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.7_648)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.663	63.663	2.630
High resolution limit [Å]	2.497	7.900	2.500
Rmerge		0.046	0.480
Total number of observations		2077	9848
Number of reflections	5585
<I/σ(I)>	18	11.5	1.3
Completeness [%]	99.9	99.4	99.8
Redundancy	11.8	9.8	12.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	277	0.1 M HEPES, 15 % PEG 20000, pH 7.0, VAPOR DIFFUSION, temperature 277K