7M5N

PCNA bound to peptide mimetic with linker

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	83.365, 83.365, 181.155
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.370 - 3.110
R-factor	0.278
Rwork	0.272
R-free	0.30860
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]	38.370	38.370	3.320
High resolution limit [Å]	3.110	8.790	3.110
Rmerge	0.201	0.105	0.653
Rmeas	0.209	0.108	0.688
Rpim	0.054	0.025	0.212
Total number of observations	178503	11613	24453
Number of reflections	13728	692	2414
<I/σ(I)>	10.9	24.6	3.5
Completeness [%]	99.7	98.9	98.7
Redundancy	13	16.8	10.1
CC(1/2)	0.997	0.999	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.18M magnesium acetate, 19.3% poly(ethylene) glycol 3350