8CDA
Crystal structure of MAB_4123 from Mycobacterium abscessus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-12 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.96546 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 131.910, 134.180, 206.800 |
| Unit cell angles | 90.00, 90.68, 90.00 |
Refinement procedure
| Resolution | 47.940 - 2.100 |
| R-factor | 0.179 |
| Rwork | 0.179 |
| R-free | 0.21320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.419 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.940 | 2.175 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.077 | 1.027 |
| Rmeas | 0.093 | |
| Number of reflections | 413629 | 413476 |
| <I/σ(I)> | 10.74 | 1.2 |
| Completeness [%] | 98.8 | 98.3 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 1.5 M Ammonium phosphate dibasic and 0.1M Tris pH 8.5 |
