1W9F
CBM29-2 mutant R112A: Probing the Mechanism of Ligand Recognition by Family 29 Carbohydrate Binding Modules
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 91.802, 91.802, 79.865 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.620 - 2.250 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gwm |
RMSD bond length | 0.018 |
RMSD bond angle | 1.697 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.000 | 2.320 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.060 | 0.570 |
Number of reflections | 15514 | |
<I/σ(I)> | 23.1 | 1.6 |
Completeness [%] | 92.8 | 70.6 |
Redundancy | 5.8 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 100 MM NA/HEPES BUFFER PH 7.5, 150 MM KSCN, 20% ETHYLENE GLYCOL, 18% PEG3350 |