3GOK
Binding site mapping of protein ligands
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9720 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 140.208, 183.192, 217.656 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.730 - 3.200 |
| R-factor | 0.23909 |
| Rwork | 0.238 |
| R-free | 0.25817 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jbp |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.608 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.730 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.173 | 0.630 |
| Number of reflections | 91154 | |
| <I/σ(I)> | 1.2 | |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 4.02 | 3.99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 273 | 40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
