5ZCW
Structure of the Methanosarcina mazei class II CPD-photolyase in complex with intact, phosphodiester linked, CPD-lesion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-08-16 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.100, 114.420, 166.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 94.290 - 2.700 |
R-factor | 0.2161 |
Rwork | 0.214 |
R-free | 0.25726 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xrz |
RMSD bond length | 0.012 |
RMSD bond angle | 1.682 |
Data reduction software | XDS (June 1, 2017) |
Data scaling software | XSCALE (June 1, 2017) |
Phasing software | PHASER (2.7.17) |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 94.290 | 2.796 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.544 | 0.929 |
Rpim | 0.222 | 0.556 |
Number of reflections | 38064 | 3734 |
<I/σ(I)> | 10.67 | 1.43 |
Completeness [%] | 99.9 | 99.87 |
Redundancy | 6.8 | 3.7 |
CC(1/2) | 0.857 | 0.522 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 297 | 0.1 M NaOAc pH 4.6, 0.25 M (NH4)2SO4, 4% PEG 4000 |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 297 | 0.1 M NaOAc pH 4.6, 0.25 M (NH4)2SO4, 4% PEG 4000 |