1P5B
High Resolution Structure of Reduced Active Mutant of (S)-Mandelate Dehydrogenase
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 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.97625 |
| Spacegroup name | I 4 |
| Unit cell lengths | 98.800, 98.800, 87.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 500.000 * - 1.350 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p4c |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.280 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 500.000 | 1.430 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.067 | 0.282 |
| Number of reflections | 91731 | |
| Completeness [%] | 99.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | Sukumar, N., (2001) Biochemistry, 40, 9870. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10-15 (mg/ml) | |
| 2 | 1 | drop | MES | 0.2 (M) | |
| 3 | 1 | drop | ammonium sulfate | 0.75 (%) | |
| 4 | 1 | drop | ethylene glycol | 10 (%) | |
| 5 | 1 | drop | FMN | 0.020 (mM) | |
| 6 | 1 | reservoir | 4.0 (M) | 1ml |
