1JIB
Complex of Alpha-amylase II (TVA II) from Thermoactinomyces vulgaris R-47 with Maltotetraose Based on a Crystal Soaked with Maltohexaose.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-06-13 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 111.870, 117.320, 112.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.600 - 3.300 |
R-factor | 0.212 * |
Rwork | 0.212 |
R-free | 0.30400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bvz |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.600 | 3.480 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.154 | 0.301 |
Total number of observations | 107522 * | |
Number of reflections | 22140 | |
<I/σ(I)> | 4.5 | 2.6 |
Completeness [%] | 97.0 | 97.8 |
Redundancy | 4.9 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 19 * | PEG6000, MES, CaCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG6000 | 2 (%(w/v)) | |
2 | 1 | reservoir | 5 (mM) | ||
3 | 1 | reservoir | MES | 40 (mM) | pH6.0 |
4 | 1 | drop | protein | 20 (mg/ml) |