6K3H
Crystallographic Analysis of Nucleoside Diphosphate Kinase (NDK) from Aspergillus Flavus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 189.781, 168.439, 146.099 |
| Unit cell angles | 90.00, 92.98, 90.00 |
Refinement procedure
| Resolution | 94.762 - 2.179 |
| R-factor | 0.233 |
| Rwork | 0.230 |
| R-free | 0.28070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nsk |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.952 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.762 | 2.200 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.097 | 1.264 |
| Number of reflections | 241762 | 11107 |
| <I/σ(I)> | 6.18 | |
| Completeness [%] | 99.3 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289.15 | 2.4 M Sodium Citrate, 100 mM HEPES, pH 8.5 |
