3WGO
Crystal structure of Q154L/T173I/R199M/P248S/H249/N276S mutant of meso-dapdh from Clostridium tetani E88
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.130, 135.619, 60.670 |
| Unit cell angles | 90.00, 110.46, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.050 |
| Rwork | 0.199 |
| R-free | 0.25950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f06 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.343 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 4.410 | 2.050 |
| Rmerge | 0.058 | 0.025 | 0.509 |
| Number of reflections | 44540 | ||
| <I/σ(I)> | 12.1 | ||
| Completeness [%] | 99.9 | 99.8 | 100 |
| Redundancy | 3.8 | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | PEG20000, MES, glycerol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
