5EUB
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-MTA and sulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-31 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 121.504, 121.504, 45.328 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 - 1.810 |
| R-factor | 0.1703 |
| Rwork | 0.169 |
| R-free | 0.19280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k27 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.456 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP (11.3.02) |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.091 | 0.059 | 0.738 |
| Rmeas | 0.099 | 0.062 | 0.809 |
| Rpim | 0.038 | 0.020 | 0.325 |
| Total number of observations | 209976 | ||
| Number of reflections | 35008 | ||
| <I/σ(I)> | 9.5 | 2.27 | |
| Completeness [%] | 98.7 | 98.7 | 99.8 |
| Redundancy | 6 | 10.1 | 5.9 |
| CC(1/2) | 0.997 | 0.874 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | Protein 15 mg/mL, Reservoir 0.2 M magnesium chloride, 20% (w/v) PEG 3350 |
