3AQD
Unliganded TRAP
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 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.154, 85.432, 127.444 |
| Unit cell angles | 90.00, 95.13, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.200 |
| R-factor | 0.2399 |
| Rwork | 0.238 |
| R-free | 0.26740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qaw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.321 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 3.100 |
| Rmerge | 0.082 |
| Number of reflections | 23417 |
| <I/σ(I)> | 10.3 |
| Completeness [%] | 94.5 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 25% PEG 400, 0.2M calcium chloride, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
