4ILQ

2.60A resolution structure of CT771 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	2012-11-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 65 2 2
Unit cell lengths	116.351, 116.351, 84.112
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.085 - 2.600
R-factor	0.1919
Rwork	0.191
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i7v
RMSD bond length	0.013
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	BALBES
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.570	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.074	1.516
Number of reflections	10818
<I/σ(I)>	30.9	2.2
Completeness [%]	100.0	100
Redundancy	19.1	20.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1 M HEPES, pH 7.0, 1.5 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K