5IW5
Crystal structure of E. coli NudC in complex with NMN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.863, 62.218, 86.877 |
| Unit cell angles | 90.00, 94.99, 90.00 |
Refinement procedure
| Resolution | 46.550 - 2.700 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vk6 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.484 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.810 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.126 | 0.789 |
| Number of reflections | 15413 | |
| <I/σ(I)> | 14.2 | 2.2 |
| Completeness [%] | 99.2 | 98.7 |
| Redundancy | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1 M LiCl2, 0.1 M HEPES, 10% PEG6000 |
