7S3J
Crystal Structure of AspB P450 in complex with brevianamide F substrates
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0332 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 68.359, 100.619, 107.716 |
Unit cell angles | 90.00, 92.76, 90.00 |
Refinement procedure
Resolution | 39.760 - 1.940 |
R-factor | 0.2293 |
Rwork | 0.226 |
R-free | 0.29170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6xai |
RMSD bond length | 0.008 |
RMSD bond angle | 1.082 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.760 | 1.980 |
High resolution limit [Å] | 1.940 | 1.940 |
Number of reflections | 53866 | 3577 |
<I/σ(I)> | 11.6 | |
Completeness [%] | 99.7 | |
Redundancy | 5.9 | |
CC(1/2) | 0.986 | 0.347 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 20% PEG 3350 300 mM MgCl2 100 mM Bis-Tris, pH 6.5 |