4JO0
Crystal Structure of CmlA, a diiron beta-hydroxylase from Streptomyces venezuelae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 153.158, 153.158, 93.356 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.660 - 2.170 |
| R-factor | 0.2026 |
| Rwork | 0.201 |
| R-free | 0.23330 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.777 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.210 |
| High resolution limit [Å] | 2.170 | 5.890 | 2.170 |
| Rmerge | 0.063 | 0.025 | 0.435 |
| Number of reflections | 57023 | ||
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 96.4 | 97.9 | 81.6 |
| Redundancy | 7.3 | 6.9 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 100 mM HEPES, 10% PEG20000, 10% glycerol, 100 mM potassium acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
