5OD1
Structure of the engineered metalloesterase MID1sc10 complexed with a phosphonate transition state analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000030 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 32.349, 46.877, 112.621 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.000 - 1.340 |
| R-factor | 0.12867 |
| Rwork | 0.126 |
| R-free | 0.17113 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.706 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 1.420 |
| High resolution limit [Å] | 1.340 | 1.340 |
| Rmerge | 0.042 | 0.761 |
| Number of reflections | 19644 | |
| <I/σ(I)> | 12.91 | 1.4 |
| Completeness [%] | 99.3 | 98.6 |
| Redundancy | 6.3 | |
| CC(1/2) | 0.999 | 0.749 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 293 | 200 mM HEPES pH 8.6, 14% (w/v) Polyethylene glycol 3350 |
