5WA9
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside D-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 | 77.572, 46.079, 64.212 |
Unit cell angles | 90.00, 94.78, 90.00 |
Refinement procedure
Resolution | 38.651 - 1.150 |
R-factor | 0.1379 |
Rwork | 0.137 |
R-free | 0.15250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tw2 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.951 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.989 | 63.989 | 1.154 |
High resolution limit [Å] | 1.150 | 5.337 | 1.150 |
Rmeas | 0.120 | 0.102 | 0.330 |
Rpim | 0.065 | 0.059 | 0.185 |
Total number of observations | 252713 | 2638 | 2232 |
Number of reflections | 76481 | 2232 | |
<I/σ(I)> | 10.5 | 19.1 | 3.9 |
Completeness [%] | 95.3 | 95 | 88.2 |
Redundancy | 3.3 | 3.2 | 3.1 |
CC(1/2) | 0.931 | 0.898 | 0.942 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 100 mM MES, 36% PEG 8000 |