11LI

OgOGA IN COMPLEX WITH LIGAND 24

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	84.634, 93.038, 60.394
Unit cell angles	90.00, 104.03, 90.00

Refinement procedure

Resolution	61.560 - 1.530
R-factor	0.19146
Rwork	0.189
R-free	0.22737
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.898
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.560	1.780
High resolution limit [Å]	1.530	1.530
Rmerge	0.044	0.488
Rmeas	0.055	0.605
Number of reflections	65376	24368
<I/σ(I)>	15.19	2.37
Completeness [%]	95.7	98.1
Redundancy	2.8	2.8
CC(1/2)	0.999	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.25	293	16% (w/v) PEG4K, 0.15 M MgCl2, 0.1M Tris/HCl pH 8.25