9CV8
Crystal Structure of Cytochrome P450 NysL bound to nystatin
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979460 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 136.290, 136.290, 135.600 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.790 - 2.000 |
R-factor | 0.1901 |
Rwork | 0.189 |
R-free | 0.21530 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.057 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (v1.18-3845-000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.790 | 2.072 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.173 | 1.030 |
Rmeas | 0.181 | 1.000 |
Rpim | 0.053 | 0.320 |
Number of reflections | 98254 | 9674 |
<I/σ(I)> | 18.25 | 1.65 |
Completeness [%] | 99.8 | |
Redundancy | 9.1 | 2.1 |
CC(1/2) | 0.995 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100 mM Bis-tris propane (pH 7), 1.5 M lithium sulfate |