6AHO

Crystal structure of Kap114p

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	80
Detector technology	CCD
Collection date	2016-11-27
Detector	RAYONIX MX300HE
Wavelength(s)	0.99984
Spacegroup name	P 31 2 1
Unit cell lengths	116.623, 116.623, 189.015
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.974 - 2.502
R-factor	0.2131
Rwork	0.211
R-free	0.26310
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.258
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.077	0.523
Rpim	0.039	0.280
Number of reflections	51352	4664
<I/σ(I)>	15.1	2.2
Completeness [%]	95.6	90.5
Redundancy	4.7	4
CC(1/2)	0.998	0.925

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.43 M citric acid, 0.057 M BIS TRIS propane (pH 5.8), 17% PEG3350, 0.01 M Ethylenediaminetetraacetic acid disodium salt dihydrate, and 3% v/v ethanol