8SDP
HTRA-1 PDSA bound to CKP 3A7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2021-05-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.270, 86.790, 199.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.920 - 2.870 |
R-factor | 0.2774 |
Rwork | 0.276 |
R-free | 0.29540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.569 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.920 | 2.980 |
High resolution limit [Å] | 2.870 | 2.870 |
Rmerge | 0.096 | 1.210 |
Rmeas | 0.114 | 1.450 |
Number of reflections | 11508 | 576 |
<I/σ(I)> | 13 | 1.6 |
Completeness [%] | 90.5 | 64.1 |
Redundancy | 6.3 | 5.7 |
CC(1/2) | 0.999 | 0.636 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291 | 15% PEG 20000, 0.1M HEPES pH 7.5 |