6C9B
The structure of MppP soaked with the products 4HKA and 2KA
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 | PIXEL |
| Collection date | 2016-06-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.110, 108.830, 195.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.792 - 1.689 |
| R-factor | 0.1509 |
| Rwork | 0.151 |
| R-free | 0.16520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dj1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.041 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.720 |
| High resolution limit [Å] | 1.689 | 1.690 |
| Rmerge | 0.063 | 0.488 |
| Number of reflections | 199364 | 9240 |
| <I/σ(I)> | 21.8 | 2.3 |
| Completeness [%] | 97.3 | 92.1 |
| Redundancy | 6.5 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 30% polyethylene glycol monomethyl ether 550 (PEG MME 550), 50 mM MgCl2, and 0.1 M HEPES pH 8.0 |
