5ONU

Trimeric OmpU structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	146
Detector technology	PIXEL
Collection date	2015-04-26
Detector	DECTRIS PILATUS3 R CdTe 300K-W
Wavelength(s)	0.9173
Spacegroup name	P 21 21 2
Unit cell lengths	129.880, 153.470, 81.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.731 - 2.220
R-factor	0.2092
Rwork	0.208
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.002
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	64.950
High resolution limit [Å]	2.220
Number of reflections	80557
<I/σ(I)>	14.7
Completeness [%]	99.8
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	289	0.1M lithium sulfate monohydrate, 0.1M sodium acetate trihydrate pH4.6, and 1M ammonium phosphate monobasic