5WA8
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Ala phosphoramidate substrate complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 78.411, 45.988, 64.209 |
Unit cell angles | 90.00, 94.77, 90.00 |
Refinement procedure
Resolution | 34.349 - 1.300 |
R-factor | 0.1552 |
Rwork | 0.154 |
R-free | 0.16960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tw2 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.942 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.633 | 39.633 | 1.304 |
High resolution limit [Å] | 1.300 | 6.027 | 1.300 |
Rmeas | 0.060 | 0.035 | 0.357 |
Rpim | 0.033 | 0.019 | 0.190 |
Total number of observations | 179269 | ||
Number of reflections | 53652 | 1673 | |
<I/σ(I)> | 16.1 | ||
Completeness [%] | 95.6 | 95.4 | 87.9 |
Redundancy | 3.3 | 3.3 | 3.4 |
CC(1/2) | 0.997 | 0.998 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM MES, 38% PEG 8000 |