7SZA

Crystal Structure Analysis of human PRPK complex with a compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	297.510, 47.490, 62.270
Unit cell angles	90.00, 96.53, 90.00

Refinement procedure

Resolution	73.951 - 1.900
R-factor	0.175
Rwork	0.173
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3enp 4ww5
RMSD bond length	0.008
RMSD bond angle	1.184
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.951	73.950	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmeas	0.071	0.023	0.933
Rpim	0.037	0.012	0.484
Total number of observations		12645	12318
Number of reflections	68512	3571	3358
<I/σ(I)>	13.8	39.9	1.6
Completeness [%]	99.7	99.4	99.9
Redundancy	3.7	3.5	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	300	100mM Sodium citrate pH 5.2, 12.8% PEG8000, 10mM MgCl2, 10mM TCEP