6UV6
AtmM with bound rebeccamycin analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-15 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.590, 129.050, 129.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.630 - 2.720 |
| R-factor | 0.2161 |
| Rwork | 0.214 |
| R-free | 0.25540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bus |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.791 |
| Data reduction software | XDS (March 15, 2019) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.16) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.630 | 55.630 | 2.790 |
| High resolution limit [Å] | 2.720 | 12.170 | 2.720 |
| Rmerge | 0.166 | 0.039 | 1.858 |
| Rmeas | 0.181 | 0.043 | 2.016 |
| Rpim | 0.071 | 0.018 | 0.776 |
| Total number of observations | 192029 | 2188 | 14066 |
| Number of reflections | 28530 | 377 | 2101 |
| <I/σ(I)> | 7.8 | 25.8 | 1 |
| Completeness [%] | 99.9 | 98.2 | 100 |
| Redundancy | 6.7 | 5.8 | 6.7 |
| CC(1/2) | 0.996 | 0.999 | 0.342 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.02M magnesium chloride hexahydrate, 0.1M HEPES PH7.5, 22%w/v Poly(acrylic acid sodium salt) 5100 |
