1MN7
NDP kinase mutant (H122G;N119S;F64W) in complex with aBAZTTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-11-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 63 |
| Unit cell lengths | 71.238, 71.238, 106.677 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.150 |
| Rwork | 0.232 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.450 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.250 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.051 * | |
| Total number of observations | 411686 * | |
| Number of reflections | 16077 | |
| <I/σ(I)> | 19.4 | 4.6 |
| Completeness [%] | 96.2 | 90 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | PEG550, mes, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | RB-AZT-TP | 10 (mM) | |
| 3 | 1 | drop | MES | 100 (mM) | pH6.5 |
| 4 | 1 | drop | 20 (mM) | ||
| 5 | 1 | drop | zinc sulfate | 10 (mM) | |
| 6 | 1 | drop | PEG550 MME | 12 (%) | |
| 7 | 1 | reservoir | PEG550 MME | 24 (%) |
