6GOC
Methylesterase BT1017
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97889 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.508, 229.469, 80.709 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.010 - 1.900 |
| Rwork | 0.201 |
| R-free | 0.24340 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.835 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.100 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 50611 | 30870 |
| <I/σ(I)> | 10.6 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.7 | 9.6 |
| CC(1/2) | 0.998 | 0.636 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 mM 1,6-hexanediol; 20 mM 1,2-propanediol; 20 mM 1,4-butanediol; 20 mM 1-butanol; 20 mM 2-propanol; 20 mM 1,3-propanediol; 100 mM Imidazol/MES pH 6.5; 20 % ethylene glycol; 10 % PEG 8000K |
