5I2X
Crystal Structure of TPP1 K170del
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-06-16 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.03829 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 119.026, 119.026, 170.778 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.000 |
| R-factor | 0.1954 |
| Rwork | 0.192 |
| R-free | 0.22560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i46 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.988 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
| Rmerge | 0.148 | 0.067 | 0.485 |
| Rmeas | 0.160 | ||
| Rpim | 0.059 | ||
| Total number of observations | 86466 | ||
| Number of reflections | 12617 | ||
| <I/σ(I)> | 7.1 | ||
| Completeness [%] | 99.7 | 97.8 | 100 |
| Redundancy | 6.9 | 6.2 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 3.6 M sodium formate, 100 mM Tris-Cl pH 8.0 |
