4Q9D
X-ray structure of a putative thiamin diphosphate-dependent enzyme isolated from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 137.162, 137.162, 337.057 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.899 - 2.200 |
| R-factor | 0.1521 |
| Rwork | 0.150 |
| R-free | 0.18490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.309 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.090 | 0.470 |
| Number of reflections | 95599 | |
| <I/σ(I)> | 46.3 | 5.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.7 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 4 M NaFormate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
