4MB0
Crystal structure of TON1374
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 266.144, 60.964, 75.354 |
| Unit cell angles | 90.00, 92.38, 90.00 |
Refinement procedure
| Resolution | 33.260 - 1.960 |
| R-factor | 0.2135 |
| Rwork | 0.211 |
| R-free | 0.26430 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.952 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.990 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Number of reflections | 84239 | |
| Completeness [%] | 96.7 | 89.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 295 | 0.16M magnesium chloride hexahydrate, 0.08M Tris-HCl, 24%(w/v) polyethylene glycol 4000, pH 8.5, VAPOR DIFFUSION, temperature 295K |
