4MLK

3.05A resolution structure of CT584 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	2011-01-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	H 3 2
Unit cell lengths	112.236, 112.236, 82.072
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.400 - 3.051
R-factor	0.2267
Rwork	0.225
R-free	0.25290
RMSD bond length	0.007
RMSD bond angle	1.074
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.708	62.708	3.210
High resolution limit [Å]	3.051	9.640	3.050
Rmerge		0.032	0.713
Total number of observations		1238	5812
Number of reflections	3900
<I/σ(I)>	20.3	18	1.1
Completeness [%]	100.0	99.9	100
Redundancy	10	8.7	10.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	30% (w/v) PEG 8000, 0.05M sodium cacodylate 0.2M ammonium acetate, 0.01M magnesium acetate, pH 8.5, VAPOR DIFFUSION, temperature 293K