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 |
