3E9A
Crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from Vibrio cholerae O1 biovar eltor str. N16961
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-06 |
| Detector | SBC-3 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 117.187, 117.187, 117.187 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.800 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.21500 |
| Structure solution method | MR |
| Starting model (for MR) | 1o60 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.726 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.082 | 0.780 |
| Number of reflections | 24922 | |
| <I/σ(I)> | 40 | 1.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 20.3 | 19.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 291 | 0.05 Ammonium sulfate 0.05 bis-tris 30% pentaerythritol ethoxylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
