4K6J

Human cohesin inhibitor WapL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979183
Spacegroup name	P 41 21 2
Unit cell lengths	107.540, 107.540, 300.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.680 - 2.620
R-factor	0.1869
Rwork	0.184
R-free	0.23660
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.637
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.670
High resolution limit [Å]	2.620	7.110	2.620
Rmerge	0.056	0.017	0.558
Number of reflections	53851
<I/σ(I)>	11.8
Completeness [%]	99.6	97	99.8
Redundancy	4.8	4.4	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	293	1.4 M ammonium sulfate, 0.1 M HEPES pH 7.1, 10% glycerol, vapor diffusion, sitting drop, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	7.1	293	1.4 M ammonium sulfate, 0.1 M HEPES pH 7.1, 10% glycerol, vapor diffusion, sitting drop, temperature 293K