5DH9

Crystal Structure of PKI NES Flip Mutant Peptide in complex with CRM1-Ran-RanBP1

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	2015-04-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	106.118, 106.118, 304.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.457 - 2.550
R-factor	0.1876
Rwork	0.186
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hb2
RMSD bond length	0.004
RMSD bond angle	0.673
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmerge	0.087	0.025	0.987
Rmeas	0.089	0.028
Rpim	0.041	0.012	0.465
Total number of observations	320312
Number of reflections	58218
<I/σ(I)>	7.3
Completeness [%]	99.6	96.7	100
Redundancy	5.5	5	5.5
CC(1/2)		0.998	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	298	17% PEG3350, 100mM Bis-Tris pH6.4, 200mM NH4NO3, 10mM Spermine HCl