8V3P
CCP5 in complex with Glu-P-peptide 2 transition state analog
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2023-06-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 65.154, 78.299, 103.373 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.140 - 2.360 |
R-factor | 0.2152 |
Rwork | 0.215 |
R-free | 0.22530 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.135 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.140 | 2.450 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmerge | 0.097 | 0.782 |
Rmeas | 0.115 | 0.930 |
Number of reflections | 22434 | 2327 |
<I/σ(I)> | 12.8 | 2.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.4 | 6.4 |
CC(1/2) | 0.998 | 0.724 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.15 M DL-Malic acid, pH7.0, 0.1 M imidazole, pH7.0, 16% PEG MME 550 |