6UXD

2.0A resolution structure of the hypothetical protein CT021 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	2013-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	103.070, 124.138, 112.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.060 - 2.000
R-factor	0.2199
Rwork	0.218
R-free	0.24930
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.17.1_3678)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.880	46.880	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.052	0.023	1.023
Total number of observations	330294	3877	24716
Number of reflections	49193	614	3612
<I/σ(I)>	20	74.3	1.9
Completeness [%]	100.0	99.1	100
Redundancy	6.7	6.3	6.8
CC(1/2)	1.000	0.999	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	1M sodium potassium tartrate, 0.1M Tris, 0.2M lithium sulfate