6CUT
Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3S)-isopropylserine bound as the external aldimine
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 | 2016-11-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1950 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.225, 107.434, 159.251 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.770 |
| R-factor | 0.1947 |
| Rwork | 0.193 |
| R-free | 0.22480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.028 |
| 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 | 1.800 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.073 | 3.040 |
| Rmeas | 0.079 | 3.291 |
| Rpim | 0.030 | 1.250 |
| Number of reflections | 137572 | 6747 |
| <I/σ(I)> | 12 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.7 | 6.7 |
| CC(1/2) | 0.998 | 0.452 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.85 | 293 | 14% PEG3350 |
