1KR2
CRYSTAL STRUCTURE OF HUMAN NMN/NAMN ADENYLYL TRANSFERASE COMPLEXED WITH TIAZOFURIN ADENINE DINUCLEOTIDE (TAD)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-09-02 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 131.477, 89.391, 137.753 |
| Unit cell angles | 90.00, 117.42, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.250 * |
| Rwork | 0.203 |
| R-free | 0.23000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kr2 |
| RMSD bond length | 0.014 * |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 2.250 * | |
| Rmerge | 0.043 | 0.292 * |
| Total number of observations | 453541 * | |
| Number of reflections | 132752 | |
| <I/σ(I)> | 30.7 | |
| Completeness [%] | 98.7 | 85.5 * |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.2 * | 20 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25 (mg/ml) | |
| 2 | 1 | drop | HEPES | 100 (mM) | pH7.2 |
| 3 | 1 | drop | 0.5 (M) | ||
| 4 | 1 | drop | dithiothreitol | 2 (mM) | |
| 5 | 1 | drop | EDTA | 1 (mM) | |
| 6 | 1 | drop | Brij-35 | 0.03 (%) | |
| 7 | 1 | drop | NAD | 10 (mM) | |
| 8 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.2-4.6 |
| 9 | 1 | reservoir | sodium formate | 1.6-1.8 (M) |
