1SB2
High resolution Structure determination of rhodocetin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.978569 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.875, 65.935, 118.841 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.870 - 1.900 |
| R-factor | 0.19128 |
| Rwork | 0.189 |
| R-free | 0.23139 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.672 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.870 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 27466 | |
| Completeness [%] | 97.2 | 78.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | NaH2PO4, KH2PO4, HEPES-Na, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
