5WMM
Crystal structure of an adenylation domain interrupted by a methylation domain (AMA4) from nonribosomal peptide synthetase TioS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-20 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 136.712, 136.712, 228.234 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.900 |
| R-factor | 0.23657 |
| Rwork | 0.236 |
| R-free | 0.25316 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gr5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.146 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.097 | |
| Number of reflections | 54895 | |
| <I/σ(I)> | 18 | |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.12 M calcium chloride, 0.1 M HEPES, pH 7.0, 22% PEG400 |
