4B5W
Crystal structures of divalent metal dependent pyruvate aldolase R70A mutant, HpaI, in complex with pyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.348, 119.144, 140.559 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.493 - 1.792 |
| R-factor | 0.1482 |
| Rwork | 0.144 |
| R-free | 0.18380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v5j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.252 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.500 | 1.850 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.050 | 0.230 |
| Number of reflections | 127694 | |
| <I/σ(I)> | 25.5 | 4.8 |
| Completeness [%] | 98.5 | 93.8 |
| Redundancy | 6.2 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 22% PEG 2000 MME, 10MM NICL2, 25MM HEPES PH 8 |
