5A7G
Comparison of the structure and activity of glycosylated and aglycosylated Human Carboxylesterase 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-18 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | H 3 |
Unit cell lengths | 115.390, 115.390, 128.140 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.550 - 1.480 |
R-factor | 0.13137 |
Rwork | 0.129 |
R-free | 0.17277 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a7f |
RMSD bond length | 0.012 |
RMSD bond angle | 1.510 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.940 | 1.520 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.050 | 0.690 |
Number of reflections | 104388 | |
<I/σ(I)> | 11.1 | 1 |
Completeness [%] | 98.4 | 91.8 |
Redundancy | 2.9 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 277 | CRYSTALS WERE GROWN AT 4C IN 0.1 M BICINE/TRIZMA BASE, PH 8.5, CONTAINING 0.03 M EACH OF DIETHYLENE GLYCOL, TRIETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, PENTAETHYLENE GLYCOL, 10 % (W/V) PEG 4000, 20 % (V/V) GLYCEROL |