2P0E
Human nicotinamide riboside kinase 1 in complex with tiazofurin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-02-06 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 55.608, 141.571, 62.005 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.838 - 1.800 |
| Rwork | 0.174 |
| R-free | 0.20920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | same protein in complex with nicotinamide mononucleotide based on an isomorphous crystal |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.450 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
| Rmerge | 0.089 | 0.034 | 0.526 |
| Number of reflections | 43446 | ||
| <I/σ(I)> | 11 | ||
| Completeness [%] | 98.9 | ||
| Redundancy | 7.5 | 7.7 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 291 | 20% PEG 3350, 0.2M Sodium phosphate monobasic, 0.1M Bicine, pH 9.0, VAPOR DIFFUSION, temperature 291K |
