7YPZ

Zafirlukast 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	2019-12-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	105.782, 105.782, 304.905
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.150
R-factor	0.18463
Rwork	0.183
R-free	0.21644
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cnd
RMSD bond length	0.006
RMSD bond angle	1.310
Data reduction software	HKL-2000
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	304.900	304.900	2.260
High resolution limit [Å]	2.150	6.790	2.150
Rmerge	0.101	0.050	1.393
Rmeas	0.103	0.051	1.431
Rpim	0.021	0.011	0.325
Total number of observations	2341149	72757	242158
Number of reflections	94712	3384	13045
<I/σ(I)>	23.2	56	2.6
Completeness [%]	99.2	99.9	95.3
Redundancy	24.7	21.5	18.6
CC(1/2)	0.999	0.999	0.797

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)