2PVZ
Crystal structure of methylaconitate isomerase PrpF from Shewanella oneidensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-07 |
| Wavelength(s) | 0.964108 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.868, 104.058, 78.254 |
| Unit cell angles | 90.00, 104.37, 90.00 |
Refinement procedure
| Resolution | 75.810 - 1.970 |
| R-factor | 0.15937 |
| Rwork | 0.158 |
| R-free | 0.18769 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.073 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.810 | 2.020 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.029 | 0.074 |
| Number of reflections | 204015 | |
| <I/σ(I)> | 21.1 | 9.1 |
| Completeness [%] | 98.2 | 95.5 |
| Redundancy | 1.9 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 300-350 mM NaCl, 21-24% methyl ether poly(ethylene glycol) 5000, buffered with 100 mM triethanolamine (pH 8.0 at 25 C). , VAPOR DIFFUSION, HANGING DROP, temperature 277K |
