4QAQ

1.58 A resolution structure of CT263 (MTAN) 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)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	65.961, 104.475, 58.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.951 - 1.580
R-factor	0.1673
Rwork	0.166
R-free	0.19870
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.026
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.770	1.618
High resolution limit [Å]	1.580	1.580
Rmerge	0.060
Number of reflections	56011
<I/σ(I)>	14.8	2.2
Completeness [%]	100.0	100
Redundancy	6.5	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	200 mM ammonium sulfate, 100 mM sodium acetate trihydrate (pH 4.6) and 30% (w/v) PEG 2K MME, vapor diffusion, sitting drop, temperature 298K