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 |