4IHC
Crystal structure of probable mannonate dehydratase Dd703_0947 (target EFI-502222) from Dickeya dadantii Ech703
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-11 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 224.331, 224.347, 87.076 |
| Unit cell angles | 90.00, 97.96, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.17492 |
| Rwork | 0.173 |
| R-free | 0.22753 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tw9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.437 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.900 | |
| Number of reflections | 277432 | |
| <I/σ(I)> | 6.1 | 1 |
| Completeness [%] | 88.2 | 81.3 |
| Redundancy | 2.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.2M AMMONIUM IODIDE, PH 7.5, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
