7LTB
Crystal Structure of Keratinicyclin B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.652523 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.316, 29.667, 32.209 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.820 - 0.950 |
| R-factor | 0.1462 |
| Rwork | 0.146 |
| R-free | 0.15090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7lkc |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.478 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17-3644) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 32.210 | 32.210 | 0.900 |
| High resolution limit [Å] | 0.890 | 4.860 | 0.890 |
| Rmerge | 0.073 | 0.039 | 1.482 |
| Rmeas | 0.076 | 0.041 | 1.638 |
| Rpim | 0.022 | 0.012 | 0.667 |
| Total number of observations | 216032 | 1486 | 4279 |
| Number of reflections | 18474 | 149 | 787 |
| <I/σ(I)> | 12.1 | 41.5 | 0.8 |
| Completeness [%] | 99.1 | 99.8 | 85.9 |
| Redundancy | 11.7 | 10 | 5.4 |
| CC(1/2) | 0.999 | 0.999 | 0.547 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 295 | Peptide was mixed in a 3:1 ratio with 0.1 M sodium acetate (pH 4.6) and 2 M sodium formate alone |
