9XZO
Crystal structure of AI-designed response regulator like protein M1X0B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-06-08 |
| Detector | DECTRIS EIGER2 X CdTe 16M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.111, 45.221, 59.451 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.000 - 1.300 |
| R-factor | 0.19861 |
| Rwork | 0.197 |
| R-free | 0.22080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.070 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.000 | 1.360 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmeas | 6.700 | |
| Number of reflections | 30590 | 30590 |
| <I/σ(I)> | 16.76 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13 | |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291.15 | 0.2 M potassium sodium tartrate tetrahydrate, 2.0 M ammonium sulfate and 0.1 M sodium citrate, pH 5.6 (SG1 Screen HT-96, Molecular Dimensions) |
