4D5P
Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylopentaose.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-30 |
| Detector | MARRESEARCH MAR165 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 83.082, 83.353, 110.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.420 - 1.890 |
| R-factor | 0.21394 |
| Rwork | 0.211 |
| R-free | 0.26838 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cel |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.388 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | REFMAC (5) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.420 | 1.990 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.110 | 0.380 |
| Number of reflections | 29998 | |
| <I/σ(I)> | 8.9 | 3.3 |
| Completeness [%] | 97.4 | 98.3 |
| Redundancy | 4.9 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 0.1 M MES (PH 6.0), 20% MONOMETHYL ETHER PEG 5000, 0.01 M COCL2, 12.5% GLYCEROL. VAPOR DIFFUSION - HANGING DROP |
