5MXC
Aleuria aurantia lectin (AAL) N224Q mutant in complex with alpha-methyl-L-fucoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-30 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.91801 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 132.250, 48.630, 57.580 |
| Unit cell angles | 90.00, 103.19, 90.00 |
Refinement procedure
| Resolution | 64.380 - 1.140 |
| R-factor | 0.13848 |
| Rwork | 0.138 |
| R-free | 0.14646 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ofz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.407 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.380 | 1.170 |
| High resolution limit [Å] | 1.140 | 1.140 |
| Rmerge | 0.066 | 0.265 |
| Number of reflections | 130546 | 18870 |
| <I/σ(I)> | 13 | 4.8 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 4.1 | 3.9 |
| CC(1/2) | 0.998 | 0.926 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 290 | 12% PEG6K, 0.12M citrate pH 5.0 |
