2QPU
Sugar tongs mutant S378P in complex with acarbose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
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 | 218.930, 89.650, 62.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.260 - 1.700 |
R-factor | 0.178 |
Rwork | 0.178 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ht6 |
RMSD bond length | 0.006 |
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] | 46.260 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 133821 | |
<I/σ(I)> | 11.7 | 4.1 |
Completeness [%] | 99.0 | 95 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 17% PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |