5I2Y
Crystal Structure of TPP1 K170A
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 | 2015-10-12 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.12718 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 119.197, 119.197, 171.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 97.850 - 3.000 |
| R-factor | 0.1979 |
| Rwork | 0.194 |
| R-free | 0.23490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i46 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.125 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.21) |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 97.850 | 84.285 | 3.160 |
| High resolution limit [Å] | 3.000 | 9.490 | 3.000 |
| Rmerge | 0.104 | 0.548 | |
| Rmeas | 0.229 | ||
| Rpim | 0.086 | ||
| Total number of observations | 82773 | ||
| Number of reflections | 12500 | ||
| <I/σ(I)> | 7.5 | 4.3 | 1.3 |
| Completeness [%] | 98.9 | 92.6 | 100 |
| Redundancy | 6.6 | 6.2 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 3.7 M sodium formate, 100 mM Tris-Cl pH 7.0, 2% methanol |
