6H7T
Native structure of Trichoderma reesei Carbohydrate-Active Enzymes Family AA12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 82.971, 82.971, 140.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.470 - 2.100 |
R-factor | 0.2069 |
Rwork | 0.204 |
R-free | 0.25590 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.985 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 71.471 | 45.058 | 2.210 |
High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
Rmerge | 0.053 | 1.163 | |
Rmeas | 0.118 | 0.057 | 1.245 |
Rpim | 0.042 | 0.022 | 0.441 |
Number of reflections | 29499 | 1078 | 4209 |
<I/σ(I)> | 11.1 | 8.6 | 0.6 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 7.8 | 6.8 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 298 | 55-60% PEG550 MME, 0.1M HEPES |