4GME
Crystal structure of mannonate dehydratase (target EFI-502209) from caulobacter crescentus cb15 complexed with magnesium and d-mannonate
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 | 115.801, 115.801, 118.131 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.620 - 2.000 |
| R-factor | 0.15694 |
| Rwork | 0.156 |
| R-free | 0.19553 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vcn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.223 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.450 | |
| Number of reflections | 53061 | |
| <I/σ(I)> | 12 | 2.7 |
| Completeness [%] | 91.0 | 100 |
| Redundancy | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1M AMMONIUM SULFATE, 0.1M TRIS-HCL, PH 8.5, 25% PEG3350, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
