2PPN
Crystal structure of FKBP12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2005-11-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 28.767, 62.700, 32.277 |
| Unit cell angles | 90.00, 113.66, 90.00 |
Refinement procedure
| Resolution | 50.000 - 0.920 |
| R-factor | 0.209 |
| Rwork | 0.169 |
| R-free | 0.19890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DMSO Bound Wild Type FKBP12 structure from PDB |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.152 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (CCP4) |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.970 |
| High resolution limit [Å] | 0.920 | 0.920 |
| Rmerge | 0.079 | 0.180 |
| Number of reflections | 61906 | |
| <I/σ(I)> | 8.9 | 5.5 |
| Completeness [%] | 96.4 | 96.4 |
| Redundancy | 3.3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1.9-2.1 M Sodium Maleonate 50 mM DMSO Slow buffer exchange into 2.5 M Sodium Maleoneate no DMSO, in 10 minute steps for freezing, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
