7M5M

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	2020-10-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 31 2 1
Unit cell lengths	83.579, 83.579, 187.494
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.340 - 3.000
R-factor	0.2418
Rwork	0.240
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1axc
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]	39.340	39.340	3.180
High resolution limit [Å]	3.000	9.000	3.000
Rmerge	0.235	0.040	1.454
Rmeas	0.241	0.041	1.493
Rpim	0.054	0.009	0.336
Total number of observations	312382	12398	48067
Number of reflections	15835	676	2482
<I/σ(I)>	12.9	50.4	2.6
Completeness [%]	99.8	99	99.2
Redundancy	19.7	18.3	19.4
CC(1/2)	0.998	1.000	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.18M Magnesium acetate, 19.5% poly(ethylene) glycol 3350