4FI4
Crystal structure of mannonate dehydratase PRK15072 (TARGET EFI-502214) from Caulobacter sp. K31
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 | 2012-02-09 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 137.617, 137.617, 264.696 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.740 - 2.000 |
| R-factor | 0.15133 |
| Rwork | 0.149 |
| R-free | 0.20379 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vcn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.222 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| 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 | 0.980 | |
| Number of reflections | 85719 | |
| <I/σ(I)> | 7.5 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.16M MAGNESIUM CHLORIDE, 0.08M TRIS HCL, PH 8.5, 24% PEG4K, 20% (VOL/VOL) GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
