5FXL
Structure of trypsin solved by MR from data collected by Direct Data Collection (DDC) using the ESRF RoboDiff goniometer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-19 |
| Detector | DECTRIS PILATUS3 2M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.835, 64.682, 69.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.490 - 1.780 |
| R-factor | 0.18315 |
| Rwork | 0.182 |
| R-free | 0.21006 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i8g |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.893 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.500 | 1.850 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.020 | 1.470 |
| Number of reflections | 26622 | |
| <I/σ(I)> | 16.1 | 1.6 |
| Completeness [%] | 98.9 | 93.1 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
