6CBI

PCNA in complex with inhibitor

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	CCD
Collection date	2015-07-08
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	78.260, 144.820, 174.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.086 - 2.750
R-factor	0.2104
Rwork	0.208
R-free	0.25230
RMSD bond length	0.006
RMSD bond angle	1.011
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.680	46.680	2.840
High resolution limit [Å]	2.750	11.000	2.750
Rmerge	0.196	0.048	1.899
Rmeas	0.225	0.055	2.200
Rpim	0.108	0.025	1.076
Total number of observations	171431
Number of reflections	47028	788	3891
<I/σ(I)>	4.8
Completeness [%]	91.0	90.2	81.9
Redundancy	3.6	4.3	3.5
CC(1/2)	0.980	0.994	0.206

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	2M ammonium sulfate 0.1M Tris pH8.0