5IE6
Crystal structure of a lactonase mutant in complex with substrate b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 86.043, 86.043, 470.111 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.940 - 2.670 |
| R-factor | 0.2239 |
| Rwork | 0.221 |
| R-free | 0.27931 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wzl |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.529 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.770 |
| High resolution limit [Å] | 2.670 | 5.730 | 2.670 |
| Rmerge | 0.045 | 0.031 | 0.153 |
| Rmeas | 0.049 | ||
| Rpim | 0.021 | ||
| Total number of observations | 177801 | ||
| Number of reflections | 30272 | ||
| <I/σ(I)> | 16.1 | ||
| Completeness [%] | 98.3 | 96.5 | 97.4 |
| Redundancy | 5.9 | 5.1 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 24% PEG 2000 MME, 0.1M Bis-Tris |
