5ROY
PanDDA analysis group deposition -- Proteinase K crystal structure Apo22
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 68.030, 68.030, 101.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.100 - 1.050 |
R-factor | 0.163 |
Rwork | 0.163 |
R-free | 0.16940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.814 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.540 | 56.540 | 1.070 |
High resolution limit [Å] | 1.050 | 5.740 | 1.050 |
Total number of observations | 101899 | 811 | 2804 |
Number of reflections | 101899 | 811 | 2804 |
<I/σ(I)> | 15.6 | 36.3 | 2.1 |
Completeness [%] | 91.2 | 100 | 52.1 |
Redundancy | 1 | 1 | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 290 | 1.2M ammonium sulfate, 0.1M Tris-HCl, pH 8.0 |