7C4D
Marine microorganism esterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97892 |
| Spacegroup name | P 32 |
| Unit cell lengths | 67.000, 67.000, 62.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 58.020 - 2.030 |
| Rwork | 0.200 |
| R-free | 0.26130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bf8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.430 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.024 | 2.080 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.097 | 2.130 |
| Number of reflections | 20051 | 1421 |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 99.7 | 95.8 |
| Redundancy | 7.5 | 4.3 |
| CC(1/2) | 0.997 | 0.354 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 20% PEG 8000, 50mM Li2SO4, 50mM Na2SO4, MES pH 5.5 |
