5GM5
Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.447, 85.567, 106.526 |
| Unit cell angles | 90.00, 91.87, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.730 |
| R-factor | 0.1462 |
| Rwork | 0.144 |
| R-free | 0.18140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ks4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.512 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 1.790 |
| High resolution limit [Å] | 1.730 | 3.720 | 1.730 |
| Rmerge | 0.064 | 0.029 | 0.490 |
| Rmeas | 0.076 | ||
| Rpim | 0.041 | ||
| Total number of observations | 558314 | ||
| Number of reflections | 163715 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 99.8 | 99.5 | 99.8 |
| Redundancy | 3.4 | 3.4 | 3.4 |
| CC(1/2) | 0.998 | 0.801 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | lithium sulfate, HEPES, zinc acetate, |
