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 |