1SO6
Crystal structure of E112Q/H136A double mutant of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-16 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.961 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.769, 41.807, 90.944 |
| Unit cell angles | 90.00, 97.22, 90.00 |
Refinement procedure
| Resolution | 91.290 - 1.902 |
| R-factor | 0.16046 |
| Rwork | 0.158 |
| R-free | 0.20798 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.518 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.290 | 1.970 |
| High resolution limit [Å] | 1.902 | 1.902 |
| Rmerge | 0.064 | |
| Number of reflections | 34631 | |
| <I/σ(I)> | 14 | 3.2 |
| Completeness [%] | 95.1 | 96.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7 | 293 | 16% PEG 5000, methyl ether, 100 mM BTP pH 7.0, 5 mM MgCl2, Microbatch, temperature 293K |
