5A7H
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 I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-03 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 |
| Unit cell lengths | 115.470, 115.470, 127.280 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.340 - 2.010 |
| R-factor | 0.18123 |
| Rwork | 0.179 |
| R-free | 0.22163 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a7f |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.469 |
| 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] | 78.630 | 2.060 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.060 | 0.610 |
| Number of reflections | 41414 | |
| <I/σ(I)> | 9.7 | 1.3 |
| Completeness [%] | 98.3 | 98 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 277 | CRYSTALS WERE GROWN AT 4C IN 0.1 M BIS-TRIS PROPANE, PH 7.5, CONTAINING 20 % (W/V) POLYETHYLENE GLYCOL 3350, 0.2 M NAI |
