1PT1
Unprocessed Pyruvoyl Dependent Aspartate Decarboxylase with Histidine 11 Mutated to Alanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.488 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 70.952, 70.952, 217.081 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.440 - 1.900 |
| R-factor | 0.15005 |
| Rwork | 0.148 |
| R-free | 0.17200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aw8 |
| RMSD bond length | 0.013 * |
| RMSD bond angle | 1.440 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.087 * | 0.260 * |
| Number of reflections | 26557 * | |
| <I/σ(I)> | 31.23 | 9.79 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 33.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 19 * | 1.4-1.6M Ammonium Sulphate, 0.1M Citric Acid, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5-9 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.4-1.6 (M) | |
| 3 | 1 | reservoir | citric acid | 0.1 (M) | pH4.0 |
