5EQG
Human GLUT1 in complex with inhibitor (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 2014-08-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 121.338, 102.497, 68.162 |
| Unit cell angles | 90.00, 99.55, 90.00 |
Refinement procedure
| Resolution | 67.217 - 2.900 |
| R-factor | 0.2375 |
| Rwork | 0.235 |
| R-free | 0.28070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pyp |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.584 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.840 | 3.000 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.200 | |
| Number of reflections | 20352 | |
| <I/σ(I)> | 8.4 | 0.6 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 6.8 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 30-40% v/v PEG400, 100 mM MES, pH 5.5-6.5, 50-200 mM sodium chloride or magnesium chloride |
