7LES
Acanthamoeba castellanii CYP51 (AcCYP51)-Imidazole complex
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] | 110 |
Detector technology | PIXEL |
Collection date | 2020-12-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.1159 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 98.560, 125.580, 100.510 |
Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
Resolution | 100.710 - 2.650 |
R-factor | 0.19611 |
Rwork | 0.192 |
R-free | 0.27535 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6q2c |
RMSD bond length | 0.011 |
RMSD bond angle | 1.529 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.710 | 2.960 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.130 | 2.980 |
Number of reflections | 71061 | 5200 |
<I/σ(I)> | 12.45 | 0.61 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.86 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 296 | 16%PEG 3350, 2% Tacsimate pH 7.0, 0.1 M sodium citrate pH 5.2 |