4UFC
Crystal structure of the GH95 enzyme BACOVA_03438
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-22 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.692, 179.117, 205.181 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 134.930 - 2.810 |
| R-factor | 0.18849 |
| Rwork | 0.186 |
| R-free | 0.22805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rdy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.399 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.310 | 2.900 |
| High resolution limit [Å] | 2.810 | 2.810 |
| Rmerge | 0.120 | 0.480 |
| Number of reflections | 48329 | |
| <I/σ(I)> | 10.8 | 2 |
| Completeness [%] | 97.6 | 74.5 |
| Redundancy | 7 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 160 MM CALCIUM ACETATE 80 MM SODIUM CACODYLATE PH 6.5 14.4 % (W/V) POLYETHYLENE GLYCOL 8000 20% (V/V) GLYCEROL |
