5UWI

Crystal Structure of HDAC5 NES 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	2015-07-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	106.391, 106.391, 304.723
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.290 - 2.143
R-factor	0.1834
Rwork	0.183
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hb2
RMSD bond length	0.002
RMSD bond angle	0.536
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.140	2.140
Rmerge	0.065	0.956
Rpim	0.027	0.400
Number of reflections	95683	4777
<I/σ(I)>	26.4	2
Completeness [%]	98.8	99.7
Redundancy	6.5	6.4
CC(1/2)		0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	295	17% PEG3350, 100 mM Bis-Tris, pH 6.4, 200 mM ammonium nitrate, 10 mM spermine-HCl, 16 mM HCl