4LAW
Crystal Structure Analysis of FKBP52, Crystal Form III
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 | 2006-02-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.068 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.660, 42.699, 116.883 |
| Unit cell angles | 90.00, 92.41, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.2185 |
| Rwork | 0.215 |
| R-free | 0.28220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q1c |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.341 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 117.041 | 48.057 | 2.530 |
| High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
| Rmerge | 0.089 | 0.053 | 0.314 |
| Total number of observations | 1357 | 6543 | |
| Number of reflections | 18269 | ||
| <I/σ(I)> | 8 | 10.9 | 2 |
| Completeness [%] | 96.8 | 90.3 | 97.6 |
| Redundancy | 2.4 | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 25% PEG6000, 0.1 M Tris-HCl, pH 8.0, 5% DMSO, VAPOR DIFFUSION, temperature 293K |
