6XJP

Crystal Structure of KPT-185 bound to CRM1 (537-DLTVK-541 to GLCEQ)

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	2018-06-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	105.947, 105.947, 305.497
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.995 - 2.802
R-factor	0.2172
Rwork	0.215
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hb2
RMSD bond length	0.003
RMSD bond angle	0.569
Data reduction software	HKL-2000
Data scaling software	HKL-2000
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	2.850
High resolution limit [Å]	2.800	7.590	2.800
Rmerge	0.185	0.115
Rmeas	0.185	0.120
Rpim	0.056	0.030	0.608
Total number of observations	664242
Number of reflections	43873	2455	2143
<I/σ(I)>	5
Completeness [%]	100.0	99.9	100
Redundancy	15.1	15.2	13.8
CC(1/2)		0.987	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	17% (weight/vol) PEG3350, 100 mM Bis-Tris (pH 6.4), 200 mM ammonium nitrate, and 10 mM Spermine HCl