2QPS
"Sugar tongs" mutant Y380A in complex with acarbose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-12 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9330 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 88.390, 72.420, 62.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.480 - 2.200 |
R-factor | 0.24 |
Rwork | 0.240 |
R-free | 0.30500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ht6 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.400 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 20591 | |
<I/σ(I)> | 24.2 | |
Completeness [%] | 98.9 | 98.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 290 | 17% PEG 8000, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 290K |