6UPI
Crystal structure of Mycobacterium tuberculosis CYP121 bound with a hydroxylated intermediate of cYF-4-OMe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-08-14 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 77.370, 77.370, 261.973 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.836 - 1.808 |
R-factor | 0.1865 |
Rwork | 0.185 |
R-free | 0.22450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wp2 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX (1.15.2_3472) |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.836 | 50.000 | 1.840 |
High resolution limit [Å] | 1.808 | 4.910 | 1.810 |
Rmerge | 0.119 | 0.062 | 0.969 |
Number of reflections | 42901 | 2473 | 2077 |
<I/σ(I)> | 5.2 | ||
Completeness [%] | 98.3 | 98.9 | 97.7 |
Redundancy | 6.9 | 6.2 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 279.2 | 1.95 M ammonium sulfate, 100 mM MES |