3O31
E81Q mutant of MtNAS in complex with a reaction intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2009-03-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97618 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.370, 67.899, 147.408 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.390 - 1.700 |
| R-factor | 0.1904 |
| Rwork | 0.188 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.366 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.438 | |
| Number of reflections | 63699 | |
| Completeness [%] | 97.9 | 97.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 100 mM Bis-tris-propane, 20% (w/v) PEG3350, 200 mM NaBr, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
