7D2A
CBM32 of AlyQ in complex with 4,5-unsaturated mannuronic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-05-30 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.608, 55.773, 58.427 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.340 - 1.570 |
Rwork | 0.168 |
R-free | 0.19450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xnr |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.340 | 1.630 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.043 | 0.203 |
Rmeas | 0.046 | 0.223 |
Number of reflections | 18779 | 1284 |
<I/σ(I)> | 22.2 | 6.9 |
Completeness [%] | 91.5 | 63.6 |
Redundancy | 6.73 | 5.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M sodium HEPES, 2% PEG 400, 2.0M ammonium sulphate, 10mg/ml enzymatically degraded sodium alginate |