2ZF4
Crystal Structure of VioE complexed with phenylpyruvic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.415, 91.030, 158.999 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.930 - 2.180 |
| R-factor | 0.20817 |
| Rwork | 0.206 |
| R-free | 0.25432 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zf3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.370 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.260 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.055 | 0.265 |
| Number of reflections | 63652 | |
| <I/σ(I)> | 15.6 | 4 |
| Completeness [%] | 97.1 | |
| Redundancy | 6.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 293 | 6% PEG 4000, 0.1M Citrate, pH 3.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
