5EQH
Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)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 | 2015-01-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.909 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 121.510, 102.360, 68.723 |
| Unit cell angles | 90.00, 98.97, 90.00 |
Refinement procedure
| Resolution | 41.840 - 2.990 |
| R-factor | 0.23 |
| Rwork | 0.226 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pyp |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.540 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 2.992 | 3.000 |
| Rmerge | 0.120 | |
| Number of reflections | 14959 | |
| <I/σ(I)> | 13.7 | 0.53 |
| Completeness [%] | 89.1 | 39.4 |
| Redundancy | 7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 30-40% v/v PEG400, 100 mM MES, pH 5.5-6.5, 50-200 mM sodium chloride or magnesium chloride |
