6XPB
Structure of human GGT1 in complex with 2-amino-4-(((1-((carboxymethyl)amino)-1-oxobutan-2-yl)oxy)(phenoxy)phosphoryl)butanoic acid (ACPB) molecule
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 106.362, 124.218, 104.232 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.370 - 1.740 |
| R-factor | 0.155 |
| Rwork | 0.153 |
| R-free | 0.18890 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4gdx |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.608 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.000 | 1.770 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.120 | 0.640 |
| Number of reflections | 69800 | 3284 |
| <I/σ(I)> | 15.7 | |
| Completeness [%] | 98.3 | 93.6 |
| Redundancy | 6.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 20-25% PEG3350, 0.1M ammonium chloride, 0.1M sodium cacodilate pH6.0 |
