6RPP
Crystal structure of PabCDC21-1 intein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.481, 93.588, 49.746 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.380 - 1.600 |
| R-factor | 0.1802 |
| Rwork | 0.178 |
| R-free | 0.21780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4o1s |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.384 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.1_3469) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.380 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmeas | 0.059 | 0.595 |
| Number of reflections | 23504 | 3723 |
| <I/σ(I)> | 24.37 | 3.58 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 13.1 | 12.9 |
| CC(1/2) | 0.999 | 0.929 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | sodium acetate, polyethylene glycol 4000, ammonium acetate |
