5Z0T
Thermoactinomyces vulgaris R-47 alpha-amylase I (TVA I) mutant A357V/Q359N/Y360E (AQY/VNE)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-13 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 107.886, 50.749, 121.897 |
| Unit cell angles | 90.00, 103.91, 90.00 |
Refinement procedure
| Resolution | 46.910 - 1.500 |
| R-factor | 0.1596 |
| Rwork | 0.158 |
| R-free | 0.18436 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ji1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.324 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.044 | 0.156 |
| Number of reflections | 183627 | 24832 |
| <I/σ(I)> | 12 | 4.6 |
| Completeness [%] | 89.5 | 83.3 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | 20% MPD, 20% PEG6000, 40 mM MES-NaOH |
