4TT5
Crystal Structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-bromophenyl)-1H imidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115869 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 165.340, 165.340, 76.810 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.857 - 2.180 |
| R-factor | 0.1838 |
| Rwork | 0.182 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f4t |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.080 |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.300 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.099 | |
| Number of reflections | 32672 | |
| <I/σ(I)> | 31.12 | 4.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 34.9 | 24.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.85-1.2 Ammonium Sulfate 80mM Ammonium Acetate pH 4.5 20mM Ammonium Acetate pH 5.6 340mM NaCl 20% Glycerol |
