1SO5
Crystal structure of E112Q 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 | 122.756, 41.849, 91.009 |
| Unit cell angles | 90.00, 97.24, 90.00 |
Refinement procedure
| Resolution | 91.290 - 1.800 |
| R-factor | 0.15759 |
| Rwork | 0.156 |
| R-free | 0.19649 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.384 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.660 | 0.240 |
| Number of reflections | 42041 | |
| <I/σ(I)> | 25.7 | 6.6 |
| Completeness [%] | 98.3 | 98.3 |
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 |
