3WW2
X-ray structures of Cellulomonas parahominis L-ribose isomerase with L-psicose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-11-14 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.780, 88.200, 151.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.800 - 2.000 |
| R-factor | 0.225 |
| Rwork | 0.221 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | MOLREP |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.810 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.096 | 0.443 |
| Total number of observations | 3452 | |
| Number of reflections | 32401 | |
| <I/σ(I)> | 10.6 | 4.2 |
| Completeness [%] | 92.6 | |
| Redundancy | 6.67 | 6.85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 3.9M ammonium acetate, 0.1M sodium acetate trihydrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
