8IQU
Structure of MtbFadD23 with PhU-AMS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978530 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 72.921, 72.921, 457.762 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.650 - 2.640 |
| R-factor | 0.2053 |
| Rwork | 0.203 |
| R-free | 0.24580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.981 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3600) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.640 | 2.640 |
| Number of reflections | 22577 | 1613 |
| <I/σ(I)> | 9.21 | |
| Completeness [%] | 100.0 | |
| Redundancy | 10.3 | |
| CC(1/2) | 0.997 | 0.941 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 30 mM Tris (pH 8.5), 140 mM sodium citrate, 60 mM ammonium phosphate monobasic, 15% w/v (+/-)-2-methyl-2,4-pentanediol, and 14% (w/v) polyethylene glycol 3350 |
