4L0E
Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis (heme-coordinated expression tag)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-05-27 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 91.620, 91.620, 123.330 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.943 - 2.700 |
R-factor | 0.2506 |
Rwork | 0.248 |
R-free | 0.29340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mgx |
RMSD bond length | 0.006 |
RMSD bond angle | 0.883 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.943 | 40.000 | 2.800 |
High resolution limit [Å] | 2.700 | 10.000 | 2.700 |
Rmerge | 0.077 | 0.024 | 0.572 |
Number of reflections | 16458 | 377 | 1694 |
<I/σ(I)> | 10.58 | 29.08 | 1.82 |
Completeness [%] | 96.9 | 96.2 | 98.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1 M HEPES, 1.4 M ammonium sulfate, 0.1 M sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |