7VJ2
class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (125 us 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) | 1.7712 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 70.850, 70.850, 247.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.620 - 3.000 |
R-factor | 0.2672 |
Rwork | 0.266 |
R-free | 0.29470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6LM4 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.678 |
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] | 49.100 | 2.320 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 29140 | 1397 |
<I/σ(I)> | 5.53 | 0.37 |
Completeness [%] | 100.0 | 100 |
Redundancy | 409.9 | 63.8 |
CC(1/2) | 0.998 | 0.347 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 278 | 0.5-0.65 M Li2SO4 10-15% (W/V) PEG8000 |