8FBC
Crystal structure of P450T2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-09-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00003 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 85.931, 95.610, 100.433 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.800 - 1.530 |
R-factor | 0.1646 |
Rwork | 0.164 |
R-free | 0.19080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.849 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.800 | 1.580 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.059 | |
Number of reflections | 119252 | 10768 |
<I/σ(I)> | 15.7 | |
Completeness [%] | 100.0 | |
Redundancy | 7 | |
CC(1/2) | 0.999 | 0.367 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium Sulfate 20 % PEG 3,350 |