4DGT
Crystal structure of PLP-bound putative aminotransferase from Clostridium difficile 630 crystallized with magnesium formate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-06 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.744, 55.624, 79.133 |
| Unit cell angles | 90.00, 91.25, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.550 |
| R-factor | 0.1491 |
| Rwork | 0.147 |
| R-free | 0.18090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | SwissModel generated model based on PDB ENTRY 3T32 structure |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.817 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.074 | 0.407 |
| Number of reflections | 99100 | |
| <I/σ(I)> | 19 | 2.3 |
| Completeness [%] | 99.5 | 94.1 |
| Redundancy | 3.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 25% PEG 3350, 2M Mg Formate, pH 7.0, vapor diffusion, hanging drop, temperature 20K, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
