1HHU
Balhimycin 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 1 21 1 |
Unit cell lengths | 22.705, 27.986, 44.490 |
Unit cell angles | 90.00, 93.18, 90.00 |
Refinement procedure
Resolution | 27.990 - 0.890 |
R-factor | 0.0835 |
R-free | 0.10040 |
Structure solution method | DIRECT METHODS |
RMSD bond length | 0.027 |
RMSD bond angle | 0.042 |
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] | 27.990 | 1.000 |
High resolution limit [Å] | 0.890 | 0.890 |
Rmerge | 0.017 | 0.034 |
Number of reflections | 42306 | |
<I/σ(I)> | 38.76 | 24.67 |
Completeness [%] | 99.4 | 98.1 |
Redundancy | 3.66 | 3.35 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 1M CIT, PH =7, 25% MPD |