3DCL
Crystal structure of TM1086
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 164.578, 164.578, 97.815 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.250 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.21200 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.568 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.101 | 0.449 |
| Number of reflections | 72494 | |
| <I/σ(I)> | 29.451 | 3.7 |
| Completeness [%] | 99.8 | 98.6 |
| Redundancy | 6.6 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M K/NA TARTRATE, 2M AMMONIUM SULPHATE,0.1M NA CITRATE PH5.6, VAPOR DIFFUSION - HANGING DROP, TEMPERATURE 293K, pH 6.5, VAPOR DIFFUSION, HANGING DROP |
