9RVW
Crystal structure of nucleoside diphosphate kinase (NDK) from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-07 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 68.878, 68.878, 156.407 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.440 - 1.200 |
| Rwork | 0.172 |
| R-free | 0.18530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.023 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.440 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Number of reflections | 44110 | 1749 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 98.1 | |
| Redundancy | 10.4 | |
| CC(1/2) | 0.994 | 0.794 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M calcium chloride dihydrate, 0.1 M HEPES sodium pH 7.5 and 28% v/v PEG 400 |
