7VIX
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (10 ns time-point)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SACLA BEAMLINE BL2 |
Synchrotron site | SACLA |
Beamline | BL2 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2017-11-30 |
Detector | MPCCD |
Wavelength(s) | 1.77 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 70.680, 70.680, 246.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.750 - 2.500 |
R-factor | 0.247 |
Rwork | 0.246 |
R-free | 0.26880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6LM4 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.653 |
Data reduction software | CrystFEL (0.6.3) |
Data scaling software | CrystFEL (0.6.3) |
Phasing software | REFMAC (5.8.0253) |
Refinement software | PHENIX ((1.19_4092: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.980 | 2.170 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 35256 | 1721 |
<I/σ(I)> | 5.6 | 0.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 483.99 | 38 |
CC(1/2) | 0.998 | 0.179 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 278 | 0.5-0.65 M Li2SO4 10-15% (W/V) PEG8000 |