2Z2N
Crystal Structure of selenomethionine substituted virginiamycin B lyase from Staphylococcus aureus
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2004-01-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9000, 0.9798, 1.0600 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.970, 34.752, 86.601 |
Unit cell angles | 90.00, 117.86, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.650 |
R-factor | 0.16092 |
Rwork | 0.156 |
R-free | 0.20309 |
Structure solution method | MAD |
RMSD bond length | 0.025 |
RMSD bond angle | 2.271 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SnB |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.750 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 29320 | |
<I/σ(I)> | 18.5 | 3.7 |
Completeness [%] | 96.7 | 78.2 |
Redundancy | 7.5 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 100mM phosphate citrate buffer (pH 4.2), 15%(w/v) PEG 8000, 10-17%(v/v) PEG 500MME, 175mM NaCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |