5XO8
Crystal structure of a novel ZEN lactonase mutant with ligand Z
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-16 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.9998 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.470, 95.196, 101.663 |
| Unit cell angles | 90.21, 92.34, 91.48 |
Refinement procedure
| Resolution | 24.950 - 1.880 |
| R-factor | 0.14551 |
| Rwork | 0.145 |
| R-free | 0.18110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wzl |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.085 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.058 | 0.302 |
| Number of reflections | 224832 | |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 97.8 | 96.5 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2 M Ammonium Sulfate, 0.085 M Sodium Cacodylate pH 6.5, 25-28% w/v Polyethylene Glycol 8000 and 15% v/v Glycerol |
