3KWX
Chemically modified Taka alpha-amylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 120.727, 120.727, 115.676 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.177 - 2.400 |
| R-factor | 0.1768 |
| Rwork | 0.175 |
| R-free | 0.21030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gvy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.071 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.180 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.081 | 0.523 |
| Number of reflections | 38486 | |
| <I/σ(I)> | 17.5 | 3.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.5 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 20% PEG 4000, 0.4M AMSO4, 0.1M MES pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
