5YM9
Crystal Structure of the Deamidase from Legionella pneumophila
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 122.101, 135.895, 64.578 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.809 - 2.500 |
R-factor | 0.2031 |
Rwork | 0.201 |
R-free | 0.25170 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.581 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.790 | 2.500 |
Rmerge | 0.082 | 0.041 | 0.938 |
Rmeas | 0.087 | 0.045 | |
Rpim | 0.034 | 0.018 | 0.412 |
Total number of observations | 238747 | ||
Number of reflections | 37412 | ||
<I/σ(I)> | 13.8 | ||
Completeness [%] | 98.4 | 94.3 | 98.1 |
Redundancy | 6.4 | 6.6 | 5.9 |
CC(1/2) | 0.998 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 289 | pentaerythritol propoxylate (5/4 PO/OH) |