5YW3
X-ray Crystal Structure of Pseudoazurin Thr36Lys Variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-27 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.699, 51.227, 57.723 |
| Unit cell angles | 88.88, 77.16, 86.58 |
Refinement procedure
| Resolution | 24.720 - 1.190 |
| R-factor | 0.12886 |
| Rwork | 0.127 |
| R-free | 0.17297 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bqk |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.533 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.210 |
| High resolution limit [Å] | 1.190 | 3.230 | 1.190 |
| Rmerge | 0.077 | 0.057 | 0.342 |
| Number of reflections | 117085 | 6046 | 5538 |
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 94.1 | 97.2 | 89.7 |
| Redundancy | 3.9 | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100mM Tris-HCl, 38% PEG4000, 40mg/mL protein |
