7VPE
Falcilysin in complex with A1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2021-04-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.24 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.663, 106.157, 126.122 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.920 - 1.620 |
R-factor | 0.1798 |
Rwork | 0.180 |
R-free | 0.19580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s5h |
RMSD bond length | 0.006 |
RMSD bond angle | 0.866 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.682 |
High resolution limit [Å] | 1.620 | 1.624 |
Rmerge | 0.027 | 0.298 |
Rmeas | 0.038 | 0.421 |
Rpim | 0.027 | 0.298 |
Number of reflections | 157897 | 15104 |
<I/σ(I)> | 13.79 | 1.31 |
Completeness [%] | 99.6 | 95.96 |
Redundancy | 2 | 2 |
CC(1/2) | 0.997 | 0.786 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | Morpheus G1 (0.1 M carboxylic acids, 0.1 M buffer system 1 pH 6.5, 10% w/v PEG 20,000, 20% v/v PEG 550mme) |