4DXX
TGT K52M mutant crystallized at pH 8.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.220, 64.865, 70.082 |
| Unit cell angles | 90.00, 95.99, 90.00 |
Refinement procedure
| Resolution | 34.850 - 1.660 |
| R-factor | 0.1675 |
| Rwork | 0.166 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pud |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.084 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Number of reflections | 47912 | |
| <I/σ(I)> | 18.1 | 3.8 |
| Completeness [%] | 99.6 | 96.6 |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | TRIS 0.1M, DMSO 10%, PEG8000 12%, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
