3PL3
Crystal structure of Cel7A from Talaromyces emersonii in complex with cellopentaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 74.204, 74.204, 175.457 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.206 - 1.180 |
| R-factor | 0.1268 |
| Rwork | 0.127 |
| R-free | 0.15040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pfj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.454 |
| 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] | 27.206 | 1.220 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.076 | 0.537 |
| Number of reflections | 150927 | |
| <I/σ(I)> | 23 | 2.5 |
| Completeness [%] | 93.9 | 88.3 |
| Redundancy | 8.4 | 4.5 |
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 cellopentaose, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
