6I1T
Calcium structure of Trichoderma reesei Carbohydrate-Active Enzymes Family AA12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 82.957, 82.957, 146.905 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.880 - 1.800 |
| R-factor | 0.1968 |
| Rwork | 0.195 |
| R-free | 0.23250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6i1q |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.750 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 72.235 | 5.690 | 1.900 |
| High resolution limit [Å] | 1.800 | 4.020 | 1.800 |
| Rmerge | 0.026 | ||
| Rmeas | 0.055 | 0.027 | 0.946 |
| Rpim | 0.019 | 0.010 | 0.335 |
| Total number of observations | 387766 | ||
| Number of reflections | 48258 | 2907 | 6903 |
| <I/σ(I)> | 21.5 | 0.9 | |
| Completeness [%] | 99.9 | 99.7 | 99.7 |
| Redundancy | 8 | 7.4 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 298 | 55-60% PEG 550 MME, 0.1M HEPES |
