11LH

OgOGA IN COMPLEX WITH LIGAND 7

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9686
Spacegroup name	C 1 2 1
Unit cell lengths	84.672, 96.349, 62.430
Unit cell angles	90.00, 106.16, 90.00

Refinement procedure

Resolution	62.150 - 2.440
R-factor	0.22088
Rwork	0.216
R-free	0.30107
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.553
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.150	2.690
High resolution limit [Å]	2.440	2.440
Rmerge	0.080	0.485
Rmeas	0.099	0.598
Number of reflections	17213	4377
<I/σ(I)>	7.42
Completeness [%]	95.7	96.3
Redundancy	2.6	2.8
CC(1/2)	0.996	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.75	293	22% (w/v) PEG4K, 0.15 M MgCl2, 0.1 Tris/HCl pH 8.75