1ITC
Beta-Amylase from Bacillus cereus var. mycoides Complexed with Maltopentaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-05-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.197, 90.294, 64.978 |
| Unit cell angles | 90.00, 101.74, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.230 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 * | 0.230 * |
| Number of reflections | 37458 | |
| Completeness [%] | 99.4 * | 99.1 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | PEG 6000, AMMONIUM SULFATE, ACETATE BUFFER, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | acetate | 100 (mM) | pH4.6 |
| 3 | 1 | reservoir | PEG6000 | 16-18 (%(w/v)) | |
| 4 | 1 | reservoir | ammonium sulfate | 7 (%(w/v)) | |
| 5 | 1 | reservoir | G5 | 50 (mM) | |
| 6 | 1 | reservoir | acetate | 100 (mM) | pH4.6 |
