5DW0
TrpB from Pyrococcus furiosus with L-serine 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 | 2014-06-20 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.241, 109.131, 160.797 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.010 |
| R-factor | 0.17805 |
| Rwork | 0.176 |
| R-free | 0.22123 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.413 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.050 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Number of reflections | 91540 | |
| <I/σ(I)> | 15.1 | 0.9 |
| Completeness [%] | 98.0 | 67.2 |
| Redundancy | 9.8 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.85 | 298 | 25% PEG3350 100 mM HEPES pH 7.85 |
