1FVU
CRYSTAL STRUCTURE OF BOTROCETIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-24 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.829, 69.666, 103.509 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.197 |
| Rwork | 0.199 |
| R-free | 0.21800 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.045 | 0.360 |
| Total number of observations | 192473 * | |
| Number of reflections | 43228 | |
| <I/σ(I)> | 33 | |
| Completeness [%] | 97.8 | 85.4 |
| Redundancy | 4.4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 * | 22 * | PEG 4000, PEG 400 and MgCl2, pH 8.5. VAPOR DIFFUSION, HANGING DROP at 295 K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | ammonium acetate | 10 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 8 (%) | |
| 4 | 1 | reservoir | PEG400 | 14 (%) | |
| 5 | 1 | reservoir | 100 (mM) | ||
| 6 | 1 | reservoir | Tris-HCl | 100 (mM) |
