5J6E
Structure of disulfide crosslinked A. fumigatus FKBP12(V91C)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-23 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1 |
Spacegroup name | P 65 |
Unit cell lengths | 136.887, 136.887, 33.037 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.807 - 3.200 |
R-factor | 0.2161 |
Rwork | 0.210 |
R-free | 0.27140 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 2.170 |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.807 | |
High resolution limit [Å] | 3.020 | 3.020 |
Number of reflections | 10597 | |
<I/σ(I)> | 8.9 | |
Completeness [%] | 92.8 | |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.5 M sodium citrate, sodium cacodylate buffer pH 6.5 |