1QRR
CRYSTAL STRUCTURE OF SQD1 PROTEIN COMPLEX WITH NAD AND UDP-GLUCOSE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 1998-12-08 |
| Detector | SIEMENS HI-STAR |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 159.610, 159.610, 98.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.179 |
| Rwork | 0.170 |
| R-free | 0.19100 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 24.500 * |
| Data scaling software | SAINT (V. 5.0) |
| Phasing software | SOLVE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.656 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.055 | 0.384 |
| Number of reflections | 75606 | |
| <I/σ(I)> | 9.59 | |
| Completeness [%] | 90.4 | 60.3 |
| Redundancy | 3.35 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | ammonium sulfate, MES buffer, NAD+, UDP-glucose, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3-4 (mg/ml) | |
| 2 | 1 | drop | ammonium sulfate | 1.0 (M) | |
| 3 | 1 | drop | MES | 0.1 (M) | |
| 4 | 1 | drop | NAD+ | 5 (mM) | |
| 5 | 1 | drop | UDP-glucose | 5 (mM) | |
| 6 | 1 | reservoir | ammonium sulfate | 1.0-2.0 (M) | |
| 7 | 1 | reservoir | MES | 0.1 (M) |
