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 |