3C3J
Crystal structure of tagatose-6-phosphate ketose/aldose isomerase from Escherichia coli
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 | 2006-12-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97940 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 100.941, 81.211, 138.325 |
| Unit cell angles | 90.00, 90.21, 90.00 |
Refinement procedure
| Resolution | 47.460 - 1.800 |
| R-factor | 0.13844 |
| Rwork | 0.136 |
| R-free | 0.18512 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.390 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 138.680 | 1.848 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.146 | 0.840 |
| Number of reflections | 195226 | |
| <I/σ(I)> | 17.81 | 1.9 |
| Completeness [%] | 99.5 | 97.17 |
| Redundancy | 9.8 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 20% PEG 3350, 0.2M di-Ammonium citrate, 2.5 mM Glucose-6-phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
