1XBY
Structure of 3-keto-L-gulonate 6-phosphate decarboxylase E112D/T169A mutant with bound D-ribulose 5-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 | 2004-04-01 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.961 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.785, 41.906, 91.225 |
| Unit cell angles | 90.00, 97.46, 90.00 |
Refinement procedure
| Resolution | 91.290 - 1.580 |
| R-factor | 0.15967 |
| Rwork | 0.158 |
| R-free | 0.19279 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.661 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.000 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.058 | 0.335 |
| Number of reflections | 63096 | |
| <I/σ(I)> | 27.7 | 3.5 |
| Completeness [%] | 98.4 | 89.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 273 | 16% PEG 5000 methyl ether, 100 mM BTP pH 7.0, 5 mM MgCl2, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
