1FVM
Complex of vancomycin with DI-acetyl-LYS-D-ALA-D-ALA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2000-06-24 |
Detector | ADSC QUAMTUM 4R |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.637, 36.425, 65.728 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 5.000 - 1.800 |
R-factor | 0.144 |
Rwork | 0.144 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aa5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.050 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.500 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.046 | 0.072 |
Number of reflections | 8400 | |
<I/σ(I)> | 11.7 | 8.5 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 6.8 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | CRYSTALS WERE PREPARED AT 293K FROM A SOLUTION CONTAINING 6.6 MM VANCOMYCIN, 6.6 MM DI- ACETYL-LYS -D-ALA-D-ALA, 3.3 % (V/V) ETHANOL, AND 0.66 M TRIS BUFFER PH 8.5, BY EQUILIBRATING THE SOLUTION AGAINST A RESERVOIR SOLUTION CONTAINING 10 % (V/V) ETHANOL AND 0.2 M TRIS BUFFER PH 8.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293.0K |