9OGN

Crystal Structure of KPT396 in complex with CRM1-Ran-RanBP1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2014-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	105.582, 105.582, 304.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.879 - 2.414
R-factor	0.1847
Rwork	0.183
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.497
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.450
High resolution limit [Å]	2.410	6.540	2.410
Rmerge	0.098	0.048	1.000
Rmeas		0.051
Rpim		0.016	0.340
Number of reflections	66485	3677	3182
<I/σ(I)>	19.2
Completeness [%]	99.1	99.3	95.9
Redundancy	8.3	8.7	7.9
CC(1/2)	0.772	0.997	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	17% PEG3350, 100 mM Bis-Tris (pH 6.6) and 200 mM ammonium nitrate