5MGZ
Streptomyces Spheroides NovO (8-demethylnovbiocic acid methyltransferase) with SAH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-09-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97916 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.724, 66.970, 80.563 |
| Unit cell angles | 90.00, 92.99, 90.00 |
Refinement procedure
| Resolution | 80.450 - 1.900 |
| R-factor | 0.17949 |
| Rwork | 0.178 |
| R-free | 0.20185 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.032 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | autoSHARP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.450 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | |
| Number of reflections | 201009 | |
| <I/σ(I)> | 22.6 | 10.6 |
| Completeness [%] | 90.7 | 53.2 |
| Redundancy | 6 | 3.8 |
| CC(1/2) | 0.988 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M 2-(N-morpholino)ethanesulfonic acid (MES) pH 6.5, 20% w/v poly(ethylene glycol) (PEG)-4K, 0.6 M NaCl |
