3LX2

Crystal Structure analysis of PCNA from Thermococcus kodakaraensis tk0582

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-08-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	120.480, 136.270, 123.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.630 - 2.400
R-factor	0.246
Rwork	0.243
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.796
Data reduction software	d*TREK
Data scaling software	d*TREK (9.7 W8RSSI)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.860	29.630	2.490
High resolution limit [Å]	2.400	5.160	2.400
Rmerge	0.039	0.022	0.345
Total number of observations		12097	9569
Number of reflections	36454
<I/σ(I)>	13.4	37.8	2.7
Completeness [%]	90.8	94.4	89
Redundancy	2.83	2.96	2.72

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	2.4-2.8 M ammonium sulfate, 100 mM sodium citrate, 5-10% 2,4-methyl pentanediol. The protein solution has 10% glycerol, VAPOR DIFFUSION, temperature 295K