4Z5Q
Crystal structure of the LnmZ cytochrome P450 hydroxylase from the leinamycin biosynthetic pathway of Streptomyces atroolivaceus S-140 at 1.8 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-08 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.307, 83.434, 48.192 |
| Unit cell angles | 90.00, 97.67, 90.00 |
Refinement procedure
| Resolution | 46.884 - 1.801 |
| R-factor | 0.1611 |
| Rwork | 0.159 |
| R-free | 0.19990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y98 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.658 |
| Data reduction software | XDS (VERSION January 10, 2014) |
| Data scaling software | XDS (VERSION January 10, 2014) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.884 | 46.880 | 1.850 |
| High resolution limit [Å] | 1.801 | 8.050 | 1.801 |
| Rmerge | 0.026 | 0.838 | |
| Rmeas | 0.076 | 0.031 | 1.001 |
| Rpim | 0.041 | 0.017 | 0.541 |
| Total number of observations | 114903 | 1106 | 8374 |
| Number of reflections | 34256 | ||
| <I/σ(I)> | 12.7 | 42.8 | 1.4 |
| Completeness [%] | 99.7 | 93.4 | 98.7 |
| Redundancy | 3.4 | 3 | 3.3 |
| CC(1/2) | 0.998 | 0.998 | 0.606 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2 M magnesium chloride, 0.1 M Bis-Tris, pH 6.5, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP |
