4TNS
Structure of Pin1 PPIase domain bound with all-trans retinoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.806, 36.294, 51.703 |
| Unit cell angles | 90.00, 100.92, 90.00 |
Refinement procedure
| Resolution | 42.340 - 1.330 |
| R-factor | 0.17008 |
| Rwork | 0.169 |
| R-free | 0.18694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ikg |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.577 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.350 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Number of reflections | 49111 | |
| <I/σ(I)> | 64.9 | 2.9 |
| Completeness [%] | 98.3 | 96.7 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 297 | 0.2 M ammonium sulfate, 0.1 M HEPES pH7-8.5 and 0.9 M-1.4 M sodium citrate |
