5M04

Structure of ObgE from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.07812
Spacegroup name	C 2 2 21
Unit cell lengths	64.590, 83.000, 177.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.730 - 1.850
R-factor	0.20007
Rwork	0.198
R-free	0.23881
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lnz
RMSD bond length	0.015
RMSD bond angle	1.763
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.730	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.090	2.326
Rmeas	0.098
Number of reflections	41090
<I/σ(I)>	9.67	1
Completeness [%]	99.9	100
Redundancy	6.81	6.97
CC(1/2)	0.998	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	16% (w/v) polyethylene glycol (PEG) 6000, 15% (v/v) 2-propanol and 100 mM Sodium Citrate/HCl pH 5.6.