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 |