6AIG

Crystal structure of PCNA1 from Aeropyrum pernix

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-10
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 43 21 2
Unit cell lengths	69.028, 69.028, 120.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.860 - 2.000
R-factor	0.18709
Rwork	0.185
R-free	0.22552
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iz4
RMSD bond length	0.014
RMSD bond angle	1.583
Data reduction software	XDS (VERSION Nov 11, 2017)
Data scaling software	XDS (VERSION Nov 11,2017)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.860	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.048	0.164
Rmeas	0.051	0.177
Rpim	0.019	0.067
Number of reflections	20195	1476
<I/σ(I)>	34.4	15
Completeness [%]	100.0	100
Redundancy	12.5	13.4
CC(1/2)	0.999	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	298	McIlvaine buffer, Lithium Sulfate, isoPropanol