5XWZ
Crystal structure of a lactonase from Cladophialophora bantiana
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-29 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 120.863, 104.399, 116.834 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.750 |
| R-factor | 0.1558 |
| Rwork | 0.154 |
| R-free | 0.18060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wzl |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.485 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.048 | 0.021 | 0.480 |
| Rmeas | 0.055 | 0.024 | 0.552 |
| Rpim | 0.026 | 0.011 | 0.271 |
| Total number of observations | 621889 | ||
| Number of reflections | 148988 | ||
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 99.9 | 99.9 | 99.9 |
| Redundancy | 4.2 | 4.2 | 4.1 |
| CC(1/2) | 0.999 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 1.4M Sodium Malonate, 0.1M Bis-Tris Propane pH 7.0 |
