2GRU
Crystal structure of 2-deoxy-scyllo-inosose synthase complexed with carbaglucose-6-phosphate, NAD+ and Co2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-11 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.569, 70.108, 81.569 |
| Unit cell angles | 90.00, 117.61, 90.00 |
Refinement procedure
| Resolution | 40.720 - 2.150 |
| R-factor | 0.17599 |
| Rwork | 0.174 |
| R-free | 0.22257 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB enrty 2D2X |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.927 |
| Data reduction software | XFIT |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.360 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 43452 | |
| Completeness [%] | 99.2 | 97.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 277 | 40%(w/v) PEG 4000, 200mM Li2SO4, 100mM Tris-HCl, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
