3BCF
Alpha-amylase B from Halothermothrix orenii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-01-01 |
Detector | SBC |
Wavelength(s) | 0.978 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 226.620, 77.820, 50.330 |
Unit cell angles | 90.00, 99.38, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.1927 |
Rwork | 0.191 |
R-free | 0.22869 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vjs |
RMSD bond length | 0.023 |
RMSD bond angle | 1.796 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 51305 | |
<I/σ(I)> | 9.5 | 2.7 |
Completeness [%] | 98.3 | 99.4 |
Redundancy | 4.7 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 30% (w/v) monomethylether PEG 5000, 0.1M Mes-OH, 0.2M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |