3TM2
Crystal structure of mature ThnT with a covalently bound product mimic
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 | CCD |
| Collection date | 2009-05-30 |
| Detector | RAYONIX MX-325 |
| Wavelength(s) | 0.80011 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 141.543, 67.324, 73.792 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.400 - 2.000 |
| R-factor | 0.1665 |
| Rwork | 0.165 |
| R-free | 0.20210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s3u |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.504 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 4.700 | 2.000 |
| Rmerge | 0.121 | 0.033 | 0.653 |
| Number of reflections | 47965 | ||
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 99.7 | 99.5 | 98.1 |
| Redundancy | 6.7 | 6.7 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 15% PEG3350, 0.5M NaAcetate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
