3FKB
Structure of NDPK H122G and tenofovir-diphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-09-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.420, 104.570, 69.210 |
| Unit cell angles | 90.00, 117.96, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.650 |
| Rwork | 0.181 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b99 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.298 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 104433 | |
| <I/σ(I)> | 7.6 | 1.8 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 25% PEG 1000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
