5UZW
PCY1 G696Insertion Variant in Complex with Follower Peptide and the Covalent Inhibitor ZPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 |
Unit cell lengths | 65.001, 85.325, 137.871 |
Unit cell angles | 87.74, 78.53, 89.64 |
Refinement procedure
Resolution | 45.700 - 2.820 |
R-factor | 0.22881 |
Rwork | 0.227 |
R-free | 0.26965 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.445 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.700 | 2.829 |
High resolution limit [Å] | 2.820 | 2.820 |
Number of reflections | 68702 | 704 |
<I/σ(I)> | 11.1 | 3.3 |
Completeness [%] | 98.3 | 98.1 |
Redundancy | 4.3 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 282 | 18% PEG 8,000, 0.2 M calcium acetate, 0.1 M sodium cacodylate pH 6.5, 12 mg/mL Protein, Protein was preincubated with 1 mM ZPP and 1 mM PSA1 [27-32] |