5GM4
Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellotetrose
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 | 87.907, 85.278, 106.025 |
Unit cell angles | 90.00, 92.47, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.920 |
R-factor | 0.158 |
Rwork | 0.156 |
R-free | 0.20720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ks4 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.509 |
Data reduction software | HKL-2000 |
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 | 1.990 |
High resolution limit [Å] | 1.920 | 4.130 | 1.920 |
Rmerge | 0.065 | 0.037 | 0.405 |
Rmeas | 0.075 | ||
Rpim | 0.037 | ||
Total number of observations | 480843 | ||
Number of reflections | 118911 | ||
<I/σ(I)> | 11.6 | ||
Completeness [%] | 99.9 | 99.8 | 100 |
Redundancy | 4 | 3.9 | 4 |
CC(1/2) | 0.998 | 0.888 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | lithium sulfate, HEPES, zinc acetate, |