2Z2O
Crystal Structure of apo virginiamycin B lyase from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2005-02-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0999 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.543, 79.231, 188.168 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.890 - 1.900 |
| R-factor | 0.14603 |
| Rwork | 0.140 |
| R-free | 0.19902 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z2n |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.843 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 86401 | |
| <I/σ(I)> | 19.4 | 3.5 |
| Completeness [%] | 98.9 | 93.9 |
| Redundancy | 4.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 50mM acetate buffer (pH 4.6), 25%(w/v) PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
