9LF7
A PAE-hydrolyse Poc14
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL19U1 |
| Synchrotron site | NFPSS |
| Beamline | BL19U1 |
| Temperature [K] | 193.15 |
| Detector technology | CCD |
| Collection date | 2018-05-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97891 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.657, 89.603, 139.592 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.130 - 1.800 |
| Rwork | 0.154 |
| R-free | 0.17790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.941 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.210 | 1.864 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.010 | |
| Rmeas | 0.080 | |
| Number of reflections | 80299 | 7790 |
| <I/σ(I)> | 16.9 | |
| Completeness [%] | 99.8 | 98.12 |
| Redundancy | 4.8 | 1.9 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 291.15 | 0.1 M HEPES sodium, 2% v/v polyethylene glycol 400, 2.0 M Ammonium sulfate |
