5MLO

Crystal structure of human PCNA in complex with ZRANB3 PIP box peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.1402
Spacegroup name	P 21 21 21
Unit cell lengths	68.136, 86.802, 156.679
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.340 - 1.960
R-factor	0.21363
Rwork	0.211
R-free	0.25933
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vym
RMSD bond length	0.010
RMSD bond angle	1.401
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.340	2.010
High resolution limit [Å]	1.960	1.960
Rmerge	0.084	1.763
Number of reflections	67566
<I/σ(I)>	20.2	1.5
Completeness [%]	100.0	100
Redundancy	13	13
CC(1/2)	0.999	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM NaCl + 8% (v/v) DMSO + 31% pentaerythitol propoxylate (5/4 PO/OH)