5ORE

Structure of the periplasmic binding protein (PBP) OccJ from agrobacterium tumefaciens B6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.980
Spacegroup name	P 43 21 2
Unit cell lengths	59.300, 59.300, 125.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.180 - 2.350
R-factor	0.21
Rwork	0.208
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pow
RMSD bond length	0.010
RMSD bond angle	1.260
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.350	2.350
Number of reflections	271394
<I/σ(I)>	20.8	1.7
Completeness [%]	99.9	99.3
Redundancy	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	20% PEG 4000, 0.1M Tris pH8.5, 0.2M acetate NH4