4B5V
Crystal structures of divalent metal dependent pyruvate aldolase, HpaI, in complex with 4-hydroxyl-2-ketoheptane-1,7-dioate
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 3 |
| Unit cell lengths | 151.740, 151.740, 151.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.935 - 2.041 |
| R-factor | 0.1557 |
| Rwork | 0.153 |
| R-free | 0.17920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v5j |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.868 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.900 | 2.090 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.030 | 0.290 |
| Number of reflections | 72826 | |
| <I/σ(I)> | 18.5 | 2 |
| Completeness [%] | 98.5 | 80.9 |
| Redundancy | 19.4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.5 M AMMONIUM DIHYDROGEN PHOSPHATE, 30% GLYCEROL, 2 MM COCL2 PH 5 |
