3UQI
Crystallographic structure of FKBP12 from Aedes aegypti
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 29.826, 38.677, 79.589 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.867 - 1.302 |
| R-factor | 0.1643 |
| Rwork | 0.163 |
| R-free | 0.19030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ppn |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.556 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.030 | 0.320 |
| Number of reflections | 23141 | |
| <I/σ(I)> | 54.7 | 4.7 |
| Completeness [%] | 99.5 | 98.2 |
| Redundancy | 7.3 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 290 | 100mM MOPS pH 8.0, 3.0M Ammonium Sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
