8BSN

Human GLS in complex with compound 27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	I 41 2 2
Unit cell lengths	140.484, 140.484, 157.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.460 - 2.494
R-factor	0.2048
Rwork	0.204
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.460	2.560
High resolution limit [Å]	2.490	2.490
Rmerge	0.066	0.760
Rmeas	0.073	0.828
Rpim	0.030	0.355
Number of reflections	27670	1958
<I/σ(I)>	23.8	2.4
Completeness [%]	99.7	96.9
Redundancy	10.8	9.8
CC(1/2)	0.990	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.8M Lithium sulphate 0.1M BisTris pH 6.5