5UW3
PCY1 in Complex with Follower Peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.495, 85.591, 137.720 |
| Unit cell angles | 87.41, 78.28, 89.33 |
Refinement procedure
| Resolution | 44.900 - 1.960 |
| R-factor | 0.19068 |
| Rwork | 0.189 |
| R-free | 0.22409 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qfs |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.684 |
| 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] | 44.900 | 1.967 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Number of reflections | 201248 | 2057 |
| <I/σ(I)> | 8.9 | 3.3 |
| Completeness [%] | 95.8 | 96.8 |
| Redundancy | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 282 | 16% PEG 8,000, 0.2 M calcium acetate, 0.1 M sodium cacodylate (pH 6.5), 14 mg/mL protein, Protein was preincubated with 5 mM boric acid and 1 mM PSA1 [14-32] |
