1HHY
Deglucobalhimycin in complex with D-Ala-D-Ala
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-09-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 48.444, 48.444, 43.086 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.060 - 0.890 |
| R-factor | 0.1212 |
| R-free | 0.13940 |
| Structure solution method | DIRECT METHODS |
| RMSD bond length | 0.021 |
| RMSD bond angle | 0.036 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.060 | 1.000 |
| High resolution limit [Å] | 0.890 | 0.890 |
| Rmerge | 0.030 | 0.080 |
| Number of reflections | 22973 | |
| <I/σ(I)> | 62.93 | 28.95 |
| Completeness [%] | 98.9 | 98 |
| Redundancy | 7.39 | 7.45 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.3M CIT, PH=7, 30% 1,2-PROPANEDIOL, pH 7.00 |
