1I3K
MOLECULAR BASIS FOR SEVERE EPIMERASE-DEFICIENCY GALACTOSEMIA: X-RAY STRUCTURE OF THE HUMAN V94M-SUBSTITUTED UDP-GALACTOSE 4-EPIMERASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-01-01 |
| Detector | SBC-2 |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.100, 89.900, 96.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.500 |
| R-factor | 0.175 |
| Rwork | 0.174 |
| R-free | 0.19800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ek6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.100 |
| Data reduction software | d*TREK |
| Data scaling software | HKL-2000 |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.047 | 0.239 |
| Total number of observations | 108944 * | |
| Number of reflections | 10333 * | |
| <I/σ(I)> | 41 | 3.5 |
| Completeness [%] | 99.1 | 95.3 |
| Redundancy | 6.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 6 | 4 * | used macroseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | MES | 100 (mM) | |
| 2 | 1 | 1 | PEG3400 | 8-9 (%(w/v)) | |
| 3 | 1 | 1 | 75 (mM) | ||
| 4 | 1 | 1 | protein | 15 (mg/ml) | |
| 5 | 1 | 1 | NADH | 5 (mM) | |
| 6 | 1 | 1 | UDP-sugars | 20 (mM) |
