1ORR
Crystal Structure of CDP-Tyvelose 2-Epimerase complexed with NAD and CDP
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2002-12-04 |
| Detector | SBC-3 |
| Wavelength(s) | 0.97940 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.000, 168.100, 89.600 |
| Unit cell angles | 90.00, 105.40, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.500 |
| R-factor | 0.179 |
| Rwork | 0.178 |
| R-free | 0.22900 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 16.200 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.061 * | 0.212 * |
| Number of reflections | 225494 | 21022 * |
| <I/σ(I)> | 40.8 | 3.9 |
| Completeness [%] | 95.2 | 89.2 |
| Redundancy | 3.8 | 2.80 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 4 * | PEG 8000, succinate, tetramethylammonium chloride, CDP, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 13 (mg/ml) | |
| 2 | 1 | reservoir | HEPPS | 20 (mM) | pH8.0 |
| 3 | 1 | reservoir | 200 (mM) | ||
| 4 | 1 | reservoir | CDP | 5 (mM) |
