6SCD
Polyester hydrolase PE-H Y250S mutant of Pseudomonas aestusnigri
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-04-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.950500 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 94.526, 98.268, 121.233 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 76.340 - 1.350 |
| R-factor | 0.1146 |
| Rwork | 0.113 |
| R-free | 0.15170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sbn |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.430 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.000 | 1.420 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Number of reflections | 122029 | 19634 |
| <I/σ(I)> | 14.98 | |
| Completeness [%] | 99.1 | |
| Redundancy | 4.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 285 | 0.2 M ammonium sulphate, 0.1 M sodium citrate pH 3.5, 28 % (v/v) PEG 400 |
