7CND

NCI-1 in complex with CRM1-Ran-RanBP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	105.333, 105.333, 304.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.560 - 1.800
R-factor	0.2031
Rwork	0.202
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m60
RMSD bond length	0.007
RMSD bond angle	1.282
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	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.143	0.063	1.365
Rmeas	0.146	0.064	1.403
Rpim	0.032	0.013	0.320
Total number of observations	3137828
Number of reflections	158384	8558	7817
<I/σ(I)>	3.1
Completeness [%]	100.0	99.8	100
Redundancy	19.8	22.8	18.6
CC(1/2)		0.998	0.320

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)