6AM8
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9 with Trp bound as E(Aex2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.233, 106.036, 158.709 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.830 |
| R-factor | 0.20307 |
| Rwork | 0.202 |
| R-free | 0.23141 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vm5 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.074 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.860 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rpim | 0.036 | 0.864 |
| Number of reflections | 121628 | 24562 |
| <I/σ(I)> | 11.5 | 0.9 |
| Completeness [%] | 99.2 | 88.3 |
| Redundancy | 7.3 | 4.6 |
| CC(1/2) | 0.999 | 0.597 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.85 | 298 | 15-25% PEG3350 and 0.1 M Na HEPES pH 7.85 |
