6X2U

Crystal Structure of PKINES peptide bound to CRM1

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	2017-04-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	106.717, 106.717, 303.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.296 - 2.200
R-factor	0.2085
Rwork	0.208
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hb2
RMSD bond length	0.003
RMSD bond angle	0.566
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	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.575	0.060
Rmeas	0.589	0.061
Rpim	0.133	0.014	3.510
Number of reflections	140356	4913	4437
<I/σ(I)>	4
Completeness [%]	99.9	99.6	99.9
Redundancy	21.6	20.3	21.8
CC(1/2)		0.999	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		273	17% (weight/vol) PEG3350, 100 mM Bis-Tris (pH 6.4), 200 mM ammonium nitrate, and 10 mM Spermine HCl