3OEA
Crystal structure of the Q121E mutants of C.polysaccharolyticus CBM16-1 bound to cellopentaose
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 | CCD |
| Collection date | 2010-07-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 32.393, 48.375, 48.985 |
| Unit cell angles | 62.50, 85.11, 86.22 |
Refinement procedure
| Resolution | 25.000 - 1.350 |
| R-factor | 0.17611 |
| Rwork | 0.175 |
| R-free | 0.20373 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zex |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.028 |
| 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 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.047 | 0.145 |
| Number of reflections | 54672 | |
| <I/σ(I)> | 45.9 | 9.4 |
| Completeness [%] | 94.9 | 91.5 |
| Redundancy | 4.9 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 288 | 30% PEG 3350, 100 mM Tris-HCl, 200 mM MgCl2, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
