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 |