4YJH
Crystal structure of DAAO(Y228L/R283G) variant (R-2-phenylpyrrolidine binding form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.281, 91.202, 110.007 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.100 - 2.700 |
| R-factor | 0.19601 |
| Rwork | 0.192 |
| R-free | 0.26330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wgt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.333 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.100 | 2.760 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.112 | 0.456 |
| Number of reflections | 19402 | |
| <I/σ(I)> | 36.8 | 8 |
| Completeness [%] | 98.4 | 90 |
| Redundancy | 10.1 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 30% PEG4000, 0.1MTris-HCl(8.5), 0.2M Lithium sulfate |
