3PFZ
Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 74.720, 74.720, 169.922 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.780 - 1.099 |
| R-factor | 0.1262 |
| Rwork | 0.126 |
| R-free | 0.14260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pfj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.504 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.800 | 1.140 |
| High resolution limit [Å] | 1.099 | 1.099 |
| Rmerge | 0.064 | 0.247 |
| Number of reflections | 185802 | |
| <I/σ(I)> | 25.2 | 6.3 |
| Completeness [%] | 95.4 | 89.6 |
| Redundancy | 7.6 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 277 | 23 mg/ml Cel7A, 1.8-2.0 M ammonium sulfate, 0.1 M CAPSO pH 9.5, 10 mM cellotetraose, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
