5NOA
Polysaccharide Lyase BACCELL_00875
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9798 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 88.398, 88.398, 215.857 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.130 - 1.260 |
| R-factor | 0.12268 |
| Rwork | 0.121 |
| R-free | 0.14801 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ce7 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.517 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.130 | 1.280 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Number of reflections | 87238 | 4048 |
| <I/σ(I)> | 13 | |
| Completeness [%] | 99.5 | 94.3 |
| Redundancy | 8.8 | 3.9 |
| CC(1/2) | 0.998 | 0.524 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 200 mM sodium malonate 20% polyethylene glycol (PEG) 3350. |
