7MPS
Brucella melitensis NrnC with engaged loop
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-26 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 4 |
| Unit cell lengths | 110.671, 110.671, 110.151 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 110.671 - 1.450 |
| R-factor | 0.1528 |
| Rwork | 0.153 |
| R-free | 0.16640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yt3 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.849 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 110.671 | 110.671 | 1.530 |
| High resolution limit [Å] | 1.450 | 4.590 | 1.450 |
| Rmerge | 0.029 | 0.883 | |
| Rmeas | 0.067 | 0.031 | 0.937 |
| Rpim | 0.021 | 0.009 | 0.307 |
| Number of reflections | 233668 | 7549 | 33974 |
| <I/σ(I)> | 21.06 | 20.8 | 0.9 |
| Completeness [%] | 99.9 | 100 | 99.6 |
| Redundancy | 10.1 | 10.2 | 9 |
| CC(1/2) | 1.000 | 0.702 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M HEPES, 2.0 M Ammonium sulfate, 20 % xylitol |
