5O5D
Cellobiohydrolase Cel7A from T. atroviride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-24 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.170, 71.670, 104.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.740 - 1.720 |
| R-factor | 0.14912 |
| Rwork | 0.148 |
| R-free | 0.17309 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.356 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.740 | 1.820 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.132 | 0.440 |
| Number of reflections | 87266 | 12661 |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 5.2 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | Precipitant 5 mM NiCl2, 0.1 M HEPES pH 7.0 20% w/v PEG 3350 Protein sample: 20 mM Bis-Tris buffer, pH 7.0 Mixed 1:1 |
