5UW6
PCY1 in Complex with Follower Peptide and 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 | 2014-10-31 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 |
Unit cell lengths | 65.508, 85.456, 138.123 |
Unit cell angles | 87.60, 78.17, 89.38 |
Refinement procedure
Resolution | 45.200 - 3.300 |
R-factor | 0.17473 |
Rwork | 0.172 |
R-free | 0.21969 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.475 |
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] | 45.200 | 3.311 |
High resolution limit [Å] | 3.300 | 3.300 |
Number of reflections | 43560 | 423 |
<I/σ(I)> | 10.2 | 5 |
Completeness [%] | 98.9 | 99.5 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 282 | 20% PEG 8,000, 0.1 M calcium acetate, 0.1 M sodium cacodylate pH 6.5, 10 mg/mL protein, Protein was preincubated with 1 mm ZPP and 1 mM PSA1 [27-32] |