8RAQ
Crystal structure of Mycobacterium tuberculosis MmaA1 with S-adenosyl methionine (SAM)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-27 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.384, 74.734, 96.773 |
| Unit cell angles | 90.00, 90.74, 90.00 |
Refinement procedure
| Resolution | 19.940 - 1.400 |
| R-factor | 0.15 |
| Rwork | 0.150 |
| R-free | 0.17130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.122 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1-4487-000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.078 | 1.095 |
| Rmeas | 0.088 | 1.253 |
| Rpim | 0.041 | 0.599 |
| Number of reflections | 115716 | 11519 |
| <I/σ(I)> | 9.6 | 1.25 |
| Completeness [%] | 99.8 | 99.74 |
| Redundancy | 4.3 | 4.2 |
| CC(1/2) | 0.997 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2 M ammonium sulfate, 0.1M sodium cacodylate trihydrate (pH 6.5), 30% (w/v) polyethylene glycol 8,000 |
