6Q8S
Elastase (PPE) under 2 kbar of argon
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 | 2018-07-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.77 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.839, 58.215, 74.256 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.810 - 1.800 |
R-factor | 0.14779 |
Rwork | 0.145 |
R-free | 0.19970 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.421 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | FFT |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.210 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.073 | 0.090 |
Rmeas | 0.081 | 0.109 |
Rpim | 0.031 | 0.076 |
Number of reflections | 21185 | 384 |
<I/σ(I)> | 26.2 | |
Completeness [%] | 86.8 | 22.2 |
Redundancy | 10.5 | 3 |
CC(1/2) | 0.997 | 0.980 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 5.5 | 298 | 20 MICROLITER OF PROTEIN (20 mg/ML) BUFFER ACETATE 0.05M + 2 MICROLITER SODIUM SULFATE SATURATED. |