5THM
Esterase-6 from Drosophila melanogaster
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9655 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.713, 80.645, 107.038 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.322 - 2.150 |
R-factor | 0.1582 |
Rwork | 0.155 |
R-free | 0.21040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fng |
RMSD bond length | 0.007 |
RMSD bond angle | 0.915 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.322 | 2.520 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.114 | |
Number of reflections | 31402 | |
<I/σ(I)> | 18.1 | |
Completeness [%] | 96.6 | |
Redundancy | 11.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277.15 | 0.2 M ammonium acetate, 0.1 M Tris pH 8.5 and 25 % w/v polyethylene glycol 3,350 |