4ILO

2.12A resolution structure of CT398 from Chlamydia trachomatis

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-08-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.2830
Spacegroup name	C 1 2 1
Unit cell lengths	88.345, 92.634, 82.652
Unit cell angles	90.00, 95.62, 90.00

Refinement procedure

Resolution	41.128 - 2.120
R-factor	0.2032
Rwork	0.201
R-free	0.24000
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.113
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	PHENIX (dev_1112)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.255	2.180
High resolution limit [Å]	2.120	2.120
Rmerge	0.069	0.595
Number of reflections	36767
<I/σ(I)>	9.8	1.9
Completeness [%]	97.7	98
Redundancy	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.2 M ammonium acetate, 0.1 M sodium acetate, pH 4.0, 15% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K