4YP6
Crystal structure of Methanobacterium thermoautotrophicum NMNAT in complex with NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-02-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 124.467, 124.467, 112.383 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.18830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ej2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.568 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.890 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.078 | 0.471 |
| Number of reflections | 78167 | |
| <I/σ(I)> | 11.83 | 3.68 |
| Completeness [%] | 98.2 | 97.8 |
| Redundancy | 1.52 | 1.48 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | ammonium sulfate, glycerol, TRIS |
