4B5X
Crystal structures of divalent metal dependent pyruvate aldolase (HpaI), mutant D42A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS |
| Synchrotron site | NSLS |
| Temperature [K] | 100 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 151.170, 151.170, 151.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.234 - 1.800 |
| R-factor | 0.1677 |
| Rwork | 0.165 |
| R-free | 0.19280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v5j |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.475 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.860 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.020 | 0.380 |
| Number of reflections | 103465 | |
| <I/σ(I)> | 16.8 | 1.8 |
| Completeness [%] | 97.5 | 87 |
| Redundancy | 17.8 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.5 M AMMONIUM DIHYDROGEN PHOSPHATE, 30% GLYCEROL, 2 MM COCL2 PH 5 |
