2EKG
Structure of Thermus thermophilus Proline Dehydrogenase inactivated by N-propargylglycine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2007-02-12 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.383, 90.104, 94.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.100 - 1.900 |
| R-factor | 0.196 |
| Rwork | 0.195 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g37 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.314 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.7L) |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.960 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.059 | 0.356 |
| Total number of observations | 32520 | |
| Number of reflections | 55959 | |
| <I/σ(I)> | 12.5 | 3.3 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 5.82 | 5.78 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 100MM MGCL2, 100MM IMIDAZOLE PH=7.0, 14% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
