6CUZ
Engineered TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3R)-ethylserine bound as the amino-acrylate
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 | 2016-11-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.19499 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.222, 109.297, 159.928 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.750 |
| R-factor | 0.2363 |
| Rwork | 0.235 |
| R-free | 0.26110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vm5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.115 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.085 | 1.115 |
| Rmeas | 0.100 | 1.277 |
| Rpim | 0.050 | 0.613 |
| Number of reflections | 148965 | 7282 |
| <I/σ(I)> | 8.2 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.1 | 4.1 |
| CC(1/2) | 0.981 | 0.753 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.85 | 293 | 14% PEG3350 |
