7KQ1

PCNA bound to truncated 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	2019-03-30
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9537
Spacegroup name	P 32 2 1
Unit cell lengths	136.660, 136.660, 104.005
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.380 - 3.300
R-factor	0.2443
Rwork	0.242
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mlo
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]	44.730	44.730	3.560
High resolution limit [Å]	3.300	8.730	3.300
Rmerge	0.283	0.049	3.165
Rmeas	0.291	0.050	3.255
Rpim	0.065	0.012	0.755
Total number of observations		17701	63786
Number of reflections	17231	1007	3497
<I/σ(I)>	10.4	49	1.2
Completeness [%]	100.0	99.4	99.9
Redundancy	19.9	17.6	18.2
CC(1/2)	0.999	0.999	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.1M sodium malonate and 8% poly(ethylene)glycol 3350