3OEB
Crystal structure of the Q121E mutant of C.polysaccharolyticus CBM16-1 bound to mannopentaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-07-15 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.440, 96.516, 72.935 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.550 |
| R-factor | 0.20074 |
| Rwork | 0.200 |
| R-free | 0.21790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zey |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.003 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0056) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.072 | 0.300 |
| Number of reflections | 29267 | |
| <I/σ(I)> | 41.4 | 3.7 |
| Completeness [%] | 99.8 | 96.6 |
| Redundancy | 7.7 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 288 | 1.6 M ammonium sulfate, 100 mM MES, pH 6.5, 10% dioxane, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
