8ER6
FKBP12-FRB in Complex with Compound 11
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-29 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.99992 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 125.309, 125.309, 252.851 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.840 - 2.810 |
R-factor | 0.2013 |
Rwork | 0.201 |
R-free | 0.22410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fap |
RMSD bond length | 0.013 |
RMSD bond angle | 1.595 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.840 | 2.911 |
High resolution limit [Å] | 2.810 | 2.810 |
Rmeas | 0.077 | 0.489 |
Number of reflections | 28386 | 2837 |
<I/σ(I)> | 15.55 | 3.48 |
Completeness [%] | 96.5 | |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 3.0-3.3 M sodium formate and 0.1 M HEPES pH 7.0-7.5 |