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 |