9HM3
Crystal structure of MnmA from Streptococcus pneumoniae in complex with AMP-PNP
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 94.182, 94.182, 159.368 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.880 - 1.820 |
| R-factor | 0.1772 |
| Rwork | 0.176 |
| R-free | 0.20190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.882 |
| Data reduction software | XDS (Jun 30, 2024) |
| Data scaling software | STARANISO (2.4.16) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.880 | 19.833 | 1.992 |
| High resolution limit [Å] | 1.820 | 5.466 | 1.850 |
| Rmerge | 0.122 | 0.040 | 2.469 |
| Rmeas | 0.125 | 0.041 | 2.532 |
| Rpim | 0.028 | 0.009 | 0.558 |
| Total number of observations | 55271 | 58437 | |
| Number of reflections | 57321 | 2866 | 2866 |
| <I/σ(I)> | 17.45 | 56.83 | 1.47 |
| Completeness [%] | 95.7 | 100 | 70.7 |
| Completeness (spherical) [%] | 100.0 | 20.8 | |
| Completeness (ellipsoidal) [%] | 100.0 | 70.7 | |
| Redundancy | 20.56 | 19.29 | 20.39 |
| CC(1/2) | 0.999 | 0.999 | 0.459 |
| Anomalous completeness (spherical) | 100.0 | 20.1 | |
| Anomalous completeness | 100.0 | 71.3 | |
| Anomalous redundancy | 10.8 | 10.7 | |
| CC(ano) | -0.281 | -0.025 | |
| |DANO|/σ(DANO) | 0.8 | 0.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.85M ammonium sulfate, 5% w/v PEG 400, 0.1M MES pH 6.5 |
