6FCN

Crystal structure of human PCNA soaked with p47phox(106-127) peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96600
Spacegroup name	P 21 21 21
Unit cell lengths	39.880, 140.670, 171.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.000 - 3.220
R-factor	0.21206
Rwork	0.209
R-free	0.27178
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1axc
RMSD bond length	0.007
RMSD bond angle	1.233
Data reduction software	XDS (VERSION May 1, 2016 BUILT=20160617)
Data scaling software	XSCALE (VERSION May 1, 2016 BUILT=20160617)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.000	3.300
High resolution limit [Å]	3.220	3.220
Rmerge	0.096	1.710
Rmeas	0.106	1.880
Number of reflections	16369	1175
<I/σ(I)>	14.3
Completeness [%]	99.4	97.8
Redundancy	5.71	5.61
CC(1/2)	0.999	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	19 to 23% PEG 3350, 0.2 to 0.3 M NaCl, 0.1 M Tris-HCl pH 8.5 12h prior to crystal freezing, 100 uM of p47phox(106-127) peptide was added to the crystallization drop