4GQM

Crystal structure of a helix-turn-helix containing hypothetical protein (CT009) from Chlamydia trachomatis in a sub-domain swap conformation

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	2011-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	55.171, 55.171, 88.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.208 - 1.250
R-factor	0.1592
Rwork	0.159
R-free	0.17310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	COMPUTATIONAL MODEL GENERATED FROM THE PROGRAM MODELLER
RMSD bond length	0.012
RMSD bond angle	1.437
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (dev_1096)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.762	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.036	0.824
Number of reflections	38420
<I/σ(I)>	25.1	2.5
Completeness [%]	99.9	98.5
Redundancy	8.3	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	30% w/v PEG4000, 0.1 M Tris, pH 8.5, 0.2 M magnesium chloride, VAPOR DIFFUSION, temperature 293K