3O5D
Crystal structure of a fragment of FKBP51 comprising the Fk1 and Fk2 domains
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-08-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 41 |
| Unit cell lengths | 113.730, 113.730, 112.126 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 4.000 |
| R-factor | 0.3187 |
| Rwork | 0.317 |
| R-free | 0.34380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q1c |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.815 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.19) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 80.420 | 35.967 | 4.220 |
| High resolution limit [Å] | 4.000 | 12.650 | 4.000 |
| Rmerge | 0.177 | 0.044 | 0.710 |
| Total number of observations | 605 | 3016 | |
| Number of reflections | 6065 | ||
| <I/σ(I)> | 6.4 | 13.2 | 1.1 |
| Completeness [%] | 99.6 | 94.3 | 99.8 |
| Redundancy | 3.4 | 3.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 0.2M (NH4)3-citrate, 20% PEG3350, pH 7.0, vapor diffusion, temperature 293K |
