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 |