3VCN
Crystal structure of mannonate dehydratase (target EFI-502209) from Caulobacter crescentus CB15
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 | 2011-11-17 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 4 |
| Unit cell lengths | 116.302, 116.302, 118.078 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.450 |
| R-factor | 0.13221 |
| Rwork | 0.130 |
| R-free | 0.18819 |
| Structure solution method | MR |
| Starting model (for MR) | 3tw9 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.454 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 1.390 |
| High resolution limit [Å] | 1.370 | 1.370 |
| Number of reflections | 163715 | |
| <I/σ(I)> | 5.8 | 0.7 |
| Completeness [%] | 92.6 | 98.3 |
| Redundancy | 4.1 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 0.1M BICINE, PH 9.0, 20% PEG6000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
