1GWI
The 1.92 A structure of Streptomyces coelicolor A3(2) CYP154C1: A new monooxygenase that functionalizes macrolide ring systems
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-10-15 |
| Detector | APS |
| Wavelength(s) | 1.5418,1.74161,1.73841, 1.61018 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.728, 131.973, 134.886 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.700 - 1.920 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.22800 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 20.800 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.990 |
| High resolution limit [Å] | 1.920 * | 1.920 |
| Rmerge | 0.062 | 0.500 |
| Number of reflections | 86084 | |
| <I/σ(I)> | 15.8 | 3.5 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.3 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | 22 * | 1.6 M MGSO4, 100 MM MES, PH=6.5, 10 MM 2-METHYLIMIDAZOLE, 22 C, pH 6.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.4 (mM) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH7.5 |
| 3 | 1 | drop | 450 (mM) | ||
| 4 | 1 | drop | EDTA | 0.5 (mM) | |
| 5 | 1 | reservoir | 1.6 (M) | ||
| 6 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
| 7 | 1 | reservoir | 2-methylimidazole | 10 (mM) |
