1S5Z
NDP kinase in complex with adenosine phosphonoacetic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-11 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.380, 104.594, 69.569 |
| Unit cell angles | 90.00, 118.28, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.187 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b99 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.260 |
| 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 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 58517 | |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 99.2 | 95.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | PEG 1000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
