3ZS6

The Structural characterization of Burkholderia pseudomallei OppA.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-05
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 1 21 1
Unit cell lengths	46.860, 81.930, 74.180
Unit cell angles	90.00, 104.34, 90.00

Refinement procedure

Resolution	38.464 - 2.100
R-factor	0.1602
Rwork	0.158
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qka
RMSD bond length	0.006
RMSD bond angle	0.909
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.970	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.090	0.290
Number of reflections	31801
<I/σ(I)>	13.2	5.6
Completeness [%]	100.0	99.9
Redundancy	4.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1 M HEPES PH 7.5, 20% PEG 8000.