5TXE
AtxE2 Isopeptidase - S527A Variant with Astexin3-dC4 Bound
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 | 2016-06-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97853 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 151.253, 202.854, 110.399 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.817 - 2.200 |
| R-factor | 0.15655 |
| Rwork | 0.154 |
| R-free | 0.19759 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.748 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.817 | 2.207 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.107 | 0.737 |
| Number of reflections | 86021 | |
| <I/σ(I)> | 16.2 | 2.8 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 8.4 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 18% PEG3350, 0.3 M ammonium citrate dibasic |
