6XA2
Structure of the tirandamycin C-bound P450 monooxygenase TamI
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 | 2017-10-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0334 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 224.554, 57.156, 282.659 |
Unit cell angles | 90.00, 90.89, 90.00 |
Refinement procedure
Resolution | 48.550 - 2.640 |
R-factor | 0.2526 |
Rwork | 0.252 |
R-free | 0.29880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | TamI |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.550 | 2.734 |
High resolution limit [Å] | 2.640 | 2.640 |
Rmerge | 0.240 | 1.500 |
Rmeas | 0.250 | 1.500 |
Number of reflections | 106833 | 10575 |
<I/σ(I)> | 10.6 | 1.76 |
Completeness [%] | 99.8 | 99.79 |
Redundancy | 13.3 | 11.7 |
CC(1/2) | 0.997 | 0.682 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.6 M ammonium sulfate, 0.9 M sodium chloride, 0.1 M bis-tris pH 6.5, 2.5% ethylene glycol |