5KPZ
PANK3-ADP-PhosphoPantothenate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-16 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 99.488, 99.488, 68.542 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.474 - 2.400 |
| R-factor | 0.1756 |
| Rwork | 0.173 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kpr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.858 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.474 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.086 | 0.447 |
| Number of reflections | 15535 | |
| <I/σ(I)> | 29.6 | 2.9 |
| Completeness [%] | 98.7 | 89.8 |
| Redundancy | 8.3 | 5.5 |
| CC(1/2) | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291.15 | PEG 4000, ammonium acetate, citrate |
