8B4X
X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-R-Tle-K-6-(aminomethyl)-3-amino-isoindol
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 | 2020-09-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.968626 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 132.049, 132.049, 155.492 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.060 - 1.600 |
R-factor | 0.1585 |
Rwork | 0.158 |
R-free | 0.16950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jxh |
RMSD bond length | 0.007 |
RMSD bond angle | 0.968 |
Data reduction software | XDS (VERSION Jan 31, 2020) |
Data scaling software | XDS (VERSION Jan 31, 2020) |
Phasing software | PHENIX (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.060 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmeas | 0.153 | 3.276 |
Number of reflections | 104100 | 16441 |
<I/σ(I)> | 13.81 | 1.22 |
Completeness [%] | 99.0 | 98.1 |
Redundancy | 19 | |
CC(1/2) | 0.999 | 0.513 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | CRYSTALLIZATION SOLUTION: 100mM MES, 200mM K/NAH2PO4, PH 5.5, 2 M NACL; RESERVOIR SOLUTION: 3.0-3.2M NACL |