8GJ5

fungal pcna and peptidomimetic

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	2022-02-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	83.929, 96.976, 108.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.200 - 2.300
R-factor	0.2396
Rwork	0.239
R-free	0.25120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.922
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.490	2.390
High resolution limit [Å]	2.300	2.300
Rmerge	0.100	2.017
Rmeas	0.104	2.101
Rpim	0.028	0.580
Total number of observations	540450	51539
Number of reflections	39804	4085
<I/σ(I)>	20.1	1.4
Completeness [%]	99.9
Redundancy	13.6	12.6
CC(1/2)	1.000	0.616

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.2M Tacsimate pH 4.0 0.1M Na Acetate, 16% PEG 3350 tray