5ZB8
Crystal structure of the novel lesion-specific endonuclease PfuEndoQ from Pyrococcus furiosus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2012-09-04 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 257.354, 82.245, 116.581 |
Unit cell angles | 90.00, 109.13, 90.00 |
Refinement procedure
Resolution | 41.122 - 2.500 |
R-factor | 0.1779 |
Rwork | 0.176 |
R-free | 0.20870 |
Structure solution method | SAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.514 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.29) |
Phasing software | SHARP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.900 | 42.900 | 2.550 |
High resolution limit [Å] | 2.500 | 12.750 | 2.500 |
Rmerge | 0.081 | 0.038 | 0.529 |
Rmeas | 0.084 | 0.040 | 0.559 |
Rpim | 0.022 | 0.012 | 0.178 |
Number of reflections | 78365 | 637 | 3663 |
<I/σ(I)> | 32.7 | ||
Completeness [%] | 98.1 | 97.2 | 80.6 |
Redundancy | 13.7 | 11.8 | 9.4 |
CC(1/2) | 0.999 | 0.999 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 298 | 0.1 M Tris HCl pH 7.1, 13% PEG 3000, 0.2 M calcium acetate |