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 |