7O1E

Crystal structure of PCNA from Chaetomium thermophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2020-10-23
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	H 3
Unit cell lengths	86.270, 86.270, 90.842
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.280 - 2.340
R-factor	0.2161
Rwork	0.213
R-free	0.27980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tup
RMSD bond length	0.006
RMSD bond angle	1.444
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.280	30.280	2.420
High resolution limit [Å]	2.340	9.050	2.340
Rmerge	0.097	0.049	0.547
Rmeas	0.108	0.055	0.637
Rpim	0.046	0.023	0.320
Total number of observations	54849	1002	3563
Number of reflections	10552	182	951
<I/σ(I)>	9.6	20.4	2
Completeness [%]	98.9	97.6	90.7
Redundancy	5.2	5.5	3.7
CC(1/2)	0.997	0.998	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1M PTCP pH 5.0, 25% PEG 1500