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 |