3QZ6
The crystal structure of HpcH/HpaI aldolase from Desulfitobacterium hafniense DCB-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 131.531, 131.531, 176.356 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.828 - 1.999 |
| R-factor | 0.1533 |
| Rwork | 0.152 |
| R-free | 0.17250 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.982 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.773 | 0.773 |
| Number of reflections | 39752 | |
| <I/σ(I)> | 16 | 0.773 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2M Sodium citrate, 0.1M Tris.HCl, 15% (v/v) PEG400, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
