4UAX
X-ray crystal structure of ligand free CYP142A2 from Mycobacterium smegmatis
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 | 2014-01-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.115869 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.650, 83.518, 94.501 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.591 - 1.780 |
| R-factor | 0.1684 |
| Rwork | 0.167 |
| R-free | 0.19560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zby |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.083 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.591 | 1.890 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.493 | |
| Number of reflections | 42943 | |
| <I/σ(I)> | 16.05 | 2.95 |
| Completeness [%] | 98.1 | 89.6 |
| Redundancy | 2.79 | 4.35 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1.27 M sodium citrate dibasic, 60 mM calcium chloride, 100 mM Bis-Tris propane, pH 6.0 |
