5I2F
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) with bound sulfamide inhibitor Bio-AMS
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 | 2014-03-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.493, 46.314, 64.073 |
| Unit cell angles | 90.00, 94.44, 90.00 |
Refinement procedure
| Resolution | 31.940 - 1.250 |
| R-factor | 0.1564 |
| Rwork | 0.155 |
| R-free | 0.17510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tw2 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.724 | 39.724 | 1.254 |
| High resolution limit [Å] | 1.250 | 5.796 | 1.250 |
| Rmerge | 0.027 | 0.023 | 0.133 |
| Rmeas | 0.032 | 0.028 | 0.159 |
| Rpim | 0.017 | 0.015 | 0.087 |
| Total number of observations | 203409 | 2152 | 2030 |
| Number of reflections | 61412 | ||
| <I/σ(I)> | 24.1 | 46.7 | 7.6 |
| Completeness [%] | 97.9 | 97.5 | 94.9 |
| Redundancy | 3.3 | 3.3 | 3.3 |
| CC(1/2) | 0.999 | 0.998 | 0.982 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.9 | 293 | 100 mM MES, 33% PEG 8000 |
