8CHU

Crystal structure of human PURA repeat I-II K97E mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-31
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000040
Spacegroup name	I 21 21 21
Unit cell lengths	40.020, 77.320, 225.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.430 - 2.450
R-factor	0.2044
Rwork	0.202
R-free	0.27220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.648
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.520
High resolution limit [Å]	2.450	2.450
Number of reflections	13362	987
<I/σ(I)>	12.1	1.28
Completeness [%]	99.9	99.5
Redundancy	6.5
CC(1/2)	0.998	0.619

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	292	in 0.1 M Tris pH 8.5, 12% (v/v) glycerol, 1.5 M (NH4)2SO4