3HXA
Crystal Structure of DCoH1Thr51Ser
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 103.805, 103.805, 193.629 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| Rwork | 0.211 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.198 |
| Data scaling software | SCALA (3.1.9) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.540 | 81.540 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.118 | 0.086 | 0.921 |
| Total number of observations | 40223 | 129054 | |
| Number of reflections | 111375 | ||
| <I/σ(I)> | 2.958 | 4.3 | 0.8 |
| Completeness [%] | 99.1 | 100 | 96.6 |
| Redundancy | 9.7 | 10.4 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Hanging drop | 7.5 | 291 | HEPES, Ammonium Sulfate, PEG 200, Glycerol, pH 7.5, Hanging drop, temperature 291K |
