5YHB
Crystal structure of Pd(allyl)/polyhedra mutant with deletion of Gly192-Ala194
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-10 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1 |
Spacegroup name | I 2 3 |
Unit cell lengths | 105.920, 105.920, 105.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.200 - 2.080 |
R-factor | 0.19371 |
Rwork | 0.188 |
R-free | 0.24367 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5gqk |
RMSD bond length | 0.015 |
RMSD bond angle | 1.762 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.210 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmeas | 0.908 | 14.800 |
Number of reflections | 12029 | 3781 |
<I/σ(I)> | 9.78 | 0.95 |
Completeness [%] | 100.0 | 100 |
Redundancy | 68.9 | 69.1 |
CC(1/2) | 0.994 | 0.386 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | IN CELL | 300 | in vivo crystallization |