5A1J

Periplasmic Binding Protein CeuE in complex with ferric 4-LICAM

Replaces:  3ZK3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-18
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	60.420, 66.890, 67.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.650 - 1.600
R-factor	0.2666
Rwork	0.264
R-free	0.31242
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2chu
RMSD bond length	0.020
RMSD bond angle	2.370
Data reduction software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.960	1.650
High resolution limit [Å]	1.610	1.610
Rmerge	0.050	0.420
Number of reflections	204289
<I/σ(I)>	18.3	2.2
Completeness [%]	99.5	94.9
Redundancy	5.7	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		0.2M SODIUM NITRATE, 0.1M BIS TRIS PROPANE PH 7.5, 20% PEG 3350