6YF3
FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-21 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.99993 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 57.279, 57.279, 54.296 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.500 - 1.000 |
R-factor | 0.1574 |
Rwork | 0.157 |
R-free | 0.15820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dh0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.362 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.3) |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.300 | 1.070 |
High resolution limit [Å] | 1.000 | 1.000 |
Rmerge | 0.049 | 0.406 |
Rmeas | 0.052 | 0.471 |
Rpim | 0.015 | 0.229 |
Total number of observations | 496239 | 19309 |
Number of reflections | 45824 | 5242 |
<I/σ(I)> | 27.2 | 3.1 |
Completeness [%] | 94.0 | 68.2 |
Redundancy | 10.8 | 3.7 |
CC(1/2) | 0.999 | 0.808 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.2 M AmSO4, 0.2 M CdCl2 |