5B5Q

1.7 Angstroms structure of ChlaDub1 from Chlamydia Trachomatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.91841
Spacegroup name	P 1 21 1
Unit cell lengths	39.100, 77.573, 68.948
Unit cell angles	90.00, 96.43, 90.00

Refinement procedure

Resolution	38.854 - 1.700
R-factor	0.1677
Rwork	0.165
R-free	0.21340
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.941
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.240	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.093
Number of reflections	50612
<I/σ(I)>	12.4
Completeness [%]	98.1	98.3
Redundancy	5.5
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	100mM Bicine pH 9.0, 10% PEG20000, 2% 1,4dioxane, 5% DMSO