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 |
