5FL1
Structure of a hydrolase with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 51.499, 162.113, 223.213 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.082 - 1.950 |
R-factor | 0.1948 |
Rwork | 0.193 |
R-free | 0.22160 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.008 |
RMSD bond angle | 0.897 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.080 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.130 | 1.500 |
Number of reflections | 137650 | |
<I/σ(I)> | 15.7 | 1.8 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 13.2 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |