6V82

Crystal structure of tryptophan synthase from Chlamydia trachomatis D/UW-3/CX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-06
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	114.923, 133.901, 128.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.836 - 2.424
R-factor	0.1611
Rwork	0.159
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kzm
RMSD bond length	0.007
RMSD bond angle	0.931
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2947: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.460
High resolution limit [Å]	2.420	2.420
Rmerge	0.342	1.356
Number of reflections	37871	1857
<I/σ(I)>	9.9	1.55
Completeness [%]	99.9	99.9
Redundancy	11.4	6.2
CC(1/2)	0.653	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	1.0 M ammonium sulfate, 0.1 M HEPES pH 7.0, 0.5% PEG8000, 3% 1,5-diaminopentane dihydrochloride, cryo saturated sucrose