9W5Y
Structure of heme transport protein Shr-NEAT2 from Streptococcus pyogenes in complex with heme.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-12 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.684, 99.047, 123.762 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.470 - 2.660 |
| R-factor | 0.21711 |
| Rwork | 0.215 |
| R-free | 0.26165 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.216 |
| Data reduction software | XDS (20220820) |
| Data scaling software | Aimless (0.8.2) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.470 | 2.790 |
| High resolution limit [Å] | 2.660 | 2.660 |
| Rmerge | 0.063 | 1.010 |
| Rpim | 0.019 | 0.279 |
| Number of reflections | 12321 | 1621 |
| <I/σ(I)> | 23.3 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.6 | 13.6 |
| CC(1/2) | 1.000 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 200 mM Lithium sulfate 100 mM TRIS-HCl 30% PEG 4000 |
