2EPF
Crystal Structure of Zinc-Bound Pseudecin From Pseudechis Porphyriacus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-01-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.077, 62.344, 246.943 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.720 - 2.300 |
| R-factor | 0.22156 |
| Rwork | 0.219 |
| R-free | 0.27717 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ddb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.140 |
| 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] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.088 | 0.394 |
| Number of reflections | 42142 | |
| <I/σ(I)> | 10.7 | 3.7 |
| Completeness [%] | 99.4 | 95.2 |
| Redundancy | 6.9 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 3.6M SODIUM FORMATE, 10%(W/V) GLYCEROL, 0.15M NACL, 50MM TRIS-HCL, 3MM ZN ACETATE, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
