4J3X
Crystal structure of barley limit dextrinase (E510A mutant) in complex with a branched maltoheptasaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-30 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.04 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 173.270, 86.200, 61.560 |
Unit cell angles | 90.00, 96.03, 90.00 |
Refinement procedure
Resolution | 28.340 - 1.750 |
R-factor | 0.1488 |
Rwork | 0.146 |
R-free | 0.19540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y4s |
RMSD bond length | 0.006 |
RMSD bond angle | 1.145 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.850 | |
High resolution limit [Å] | 1.750 | 5.160 | 1.750 |
Rmerge | 0.076 | 0.029 | 0.537 |
Rmeas | 0.035 | 0.650 | |
Number of reflections | 89001 | 3302 | 14033 |
<I/σ(I)> | 11.95 | 33.03 | 2.41 |
Completeness [%] | 97.4 | 90.7 | 95.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20% PEG 3350, 0.3M NaI, vapor diffusion, hanging drop, temperature 298K |