8CHT

Crystal structure of human PURA (fragment Glu57-Glu212, PUR repeat I and II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033100
Spacegroup name	P 1 21 1
Unit cell lengths	64.920, 58.140, 81.940
Unit cell angles	90.00, 100.65, 90.00

Refinement procedure

Resolution	50.010 - 1.950
R-factor	0.1772
Rwork	0.174
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.025
RMSD bond angle	2.314
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	43138	3147
<I/σ(I)>	12.1	2.2
Completeness [%]	98.0
Redundancy	6.9
CC(1/2)	0.998	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.2	292	0.1 M Tris buffer pH 8.2, 0.2 M sodium acetate, and 30% (w/v) PEG 4,000