5GMX
Crystal structure of a family VIII carboxylesterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-16 |
| Detector | RAYONIX MX |
| Wavelength(s) | 0.97903 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.128, 95.149, 99.943 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.241 - 2.000 |
| R-factor | 0.1857 |
| Rwork | 0.184 |
| R-free | 0.22230 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.051 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 52188 | |
| <I/σ(I)> | 22.6 | |
| Completeness [%] | 99.3 | |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 295 | 25% w/v polyethylene glycol 3350, 100 mM HEPES, 200 mM NaCl |
