1HHZ
Deglucobalhimycin in complex with cell wall pentapeptide
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 | 1999-03-15 |
Detector | MARRESEARCH |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 48.290, 48.290, 39.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.850 - 0.990 |
R-factor | 0.1075 |
R-free | 0.14030 |
Structure solution method | DIRECT METHODS |
RMSD bond length | 0.021 |
RMSD bond angle | 0.032 |
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] | 41.850 | 1.100 |
High resolution limit [Å] | 0.990 | 0.990 |
Rmerge | 0.053 | 0.190 |
Number of reflections | 29932 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 0.3M CIT, PH=7, 30% 1,2-PROPANEDIOL, pH 7.00 |