3K29

Structure of a putative YscO homolog CT670 from Chlamydia trachomatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97921,0.97942
Spacegroup name	C 1 2 1
Unit cell lengths	83.112, 23.194, 105.624
Unit cell angles	90.00, 107.48, 90.00

Refinement procedure

Resolution	27.410 - 2.000
R-factor	0.242
Rwork	0.240
R-free	0.28500
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.535
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (refmac_5.5.0056)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.067	0.066	0.191
Number of reflections	13438
<I/σ(I)>	14.5
Completeness [%]	99.0	99.7	91.6
Redundancy	5.9	5.8	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	294	0.2M ammonium dihydrogen phosphate, 20% PEG3350, 1% PEG4000, 1mM magnesium sulfate, and 25mM MES pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 294.0K