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, |