7M5L

PCNA bound to peptide mimetic with linker

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	70.960, 84.468, 134.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.760 - 3.000
R-factor	0.2606
Rwork	0.260
R-free	0.27520
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]	48.760	48.760	3.180
High resolution limit [Å]	3.000	9.000	3.000
Rmerge	0.181	0.040	3.524
Rmeas	0.188	0.041	3.671
Rpim	0.052	0.012	1.019
Total number of observations	222239	8145	33802
Number of reflections	16781	703	2651
<I/σ(I)>	9.6	46.4	0.7
Completeness [%]	100.0	99.2	100
Redundancy	13.2	11.6	12.8
CC(1/2)	0.999	0.999	0.456

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	0.18M magnesium acetate, 19.2% poly(ethylene) glycol 3350