3NZR
Crystal structure of 2-dehydro-3-deoxyphosphogluconate aldolase from Vibrio fischeri ES114
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 | 2010-06-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.752, 136.451, 62.295 |
| Unit cell angles | 90.00, 101.38, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.900 |
| R-factor | 0.17695 |
| Rwork | 0.174 |
| R-free | 0.22531 |
| Structure solution method | SAD |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.690 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.600 |
| Number of reflections | 71125 | |
| <I/σ(I)> | 15 | 2.5 |
| Completeness [%] | 97.9 | 95.3 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.2 MgCl, 0.1 Tris, 25% peg3500, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
