4IHD
Crystal Structure of Uncleaved ThnT T282C, derivatized at the active site with EtHg
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) | 1.0036 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 140.611, 68.950, 73.827 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.700 - 1.650 |
| R-factor | 0.16054 |
| Rwork | 0.159 |
| R-free | 0.18453 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s3u |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.152 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.048 | 0.348 |
| Number of reflections | 76644 | |
| <I/σ(I)> | 34.2 | 2.2 |
| Completeness [%] | 94.1 | 54.8 |
| Redundancy | 6.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 12%PEG3350, 0.5M NaAcetate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
