7KQ0

PCNA bound to peptide mimetic

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 3
Unit cell lengths	142.563, 142.563, 41.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.660 - 2.400
R-factor	0.164
Rwork	0.154
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rjf
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.660	46.660	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.043	0.026	0.182
Rmeas	0.046	0.027	0.191
Rpim	0.014	0.008	0.057
Total number of observations		8111	42287
Number of reflections	32885	697	3818
<I/σ(I)>	40.6	87	13.6
Completeness [%]	90.1	99.5	100
Redundancy	10.7	11.6	11.1
CC(1/2)	1.000	1.000	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.18M magnesium acetate, 20% poly(ethylene) glycol 3350