6M6X

Oridonin in complex with CRM1#-Ran-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	2019-10-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	106.140, 106.140, 303.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.700 - 2.880
R-factor	0.2168
Rwork	0.216
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hat
RMSD bond length	0.003
RMSD bond angle	1.294
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]	35.700	35.700	2.950
High resolution limit [Å]	2.880	12.880	2.880
Rmerge	0.140	0.053	1.553
Number of reflections	40256	2257	1955
<I/σ(I)>	17.7
Completeness [%]	99.8	94.8	100
Redundancy	24.8	18.5	26.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.12 M Monosaccharides (20 mM D-Glucose; 20 mM D-Mannose; 20 mM D-Galactose; 20 mM L-Fucose; 20 mM D-Xylose; 20 mM N-Acetyl-D-Glucosamine), 0.1 M buffer system 1 pH 6.5 (sodium HEPES and MOPS), and 50 % Precipitant Mix 2 (40% v/v Ethylene glycol; 20 % w/v PEG 8000)