6EHF

OmpT (in-vitro folded), an outer membrane protein Vibrio cholerae (trimer form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	298
Detector technology	PIXEL
Collection date	2016-05-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	I 4 3 2
Unit cell lengths	200.910, 200.910, 200.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.030 - 2.720
R-factor	0.24015
Rwork	0.238
R-free	0.28059
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ehd
RMSD bond length	0.017
RMSD bond angle	1.910
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.030
High resolution limit [Å]	2.720	2.720
Rpim	0.025	0.679
Number of reflections	18714
<I/σ(I)>	22.1	1.2
Completeness [%]	99.0	98
Redundancy	42.2	43.7
CC(1/2)	1.000	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.2	298	0.05 M calcium chloride dihydrate, 0.05 M barium chloride, 0.1 M tris, 32% PEG 400