5YSU

Plumbagin in complex with CRM1-RanM189D-RanBP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97916
Spacegroup name	P 43 21 2
Unit cell lengths	105.063, 105.063, 306.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.740 - 2.300
R-factor	0.2224
Rwork	0.221
R-free	0.25680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hat
RMSD bond length	0.007
RMSD bond angle	1.454
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.155	0.070
Rmeas	0.156	0.073
Rpim	0.058	0.021	0.602
Total number of observations	911944
Number of reflections	77361	4257	3818
<I/σ(I)>	2.6
Completeness [%]	100.0	99.9	99.9
Redundancy	11.8	12.1	11.5
CC(1/2)		0.998	0.319

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	293	18% PEG 3350, 200mM Ammonium Nitrate, 100mM Bis-Tris pH 6.6