5A7F
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 | CCD |
| Collection date | 2011-10-10 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | H 3 |
| Unit cell lengths | 114.715, 114.715, 117.780 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.780 - 1.860 |
| R-factor | 0.15979 |
| Rwork | 0.158 |
| R-free | 0.18762 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h7c |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.630 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.060 | 0.430 |
| Number of reflections | 46879 | |
| <I/σ(I)> | 17.4 | 1.8 |
| Completeness [%] | 97.0 | 71.5 |
| Redundancy | 2.8 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 293 | CRYSTALS WERE GROWN AT 20C IN 0.1 M MES/IMIDAZOLE, PH 6.5 CONTAINING 0.03 M EACH OF DIETHYLENE GLYCOL, TRIETHYLENE GLYCOL, TETRAETHYLENE GLYCOL, PENTAETHYLENE GLYCOL, 10 % (W/V) POLYETHYLENE GLYCOL 4000, 20% (W/V) GLYCEROL |
