5KA1
Protein Tyrosine Phosphatase 1B Delta helix 7 mutant in complex with TCS401, closed state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-31 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 88.021, 88.021, 72.972 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.812 - 1.840 |
| R-factor | 0.1675 |
| Rwork | 0.166 |
| R-free | 0.19460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c88 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.068 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.870 |
| High resolution limit [Å] | 1.840 | 4.990 | 1.840 |
| Rmerge | 0.064 | 0.052 | 0.222 |
| Total number of observations | 250703 | ||
| Number of reflections | 27891 | ||
| <I/σ(I)> | 12.2 | ||
| Completeness [%] | 97.0 | 99.4 | 77.2 |
| Redundancy | 9 | 10.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 0.1 M HEPES, pH 7.4, 0.2 M MgCl2, 18% PEG8000 |
