5M5Q

COPS5(2-257) IN COMPLEX WITH A AZAINDOLE (COMPOUND 4)

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	2012-08-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	I 4
Unit cell lengths	102.365, 102.365, 69.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.730 - 2.200
R-factor	0.198
Rwork	0.197
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in house model
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.260
High resolution limit [Å]	2.200	2.200
Number of reflections	18226
<I/σ(I)>	22.5	2.8
Completeness [%]	100.0	99.9
Redundancy	6.8	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	35% MPD, 0.2M LiSO4, 0,1 M Mes pH 6.0