9KCE
Crystal Structure of the ATP analog-bound closed state of Thermotoga maritima MutS2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-02-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.740, 142.850, 139.420 |
| Unit cell angles | 90.00, 105.39, 90.00 |
Refinement procedure
| Resolution | 48.950 - 2.490 |
| R-factor | 0.2214 |
| Rwork | 0.221 |
| R-free | 0.26440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.694 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.950 | 2.660 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Number of reflections | 98583 | 17668 |
| <I/σ(I)> | 6.26 | 0.98 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 16.2 | 15 |
| CC(1/2) | 0.989 | 0.795 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1M Sodium citrate tribasic dihydrate, 1.0M Ammonium phosphate monobasic |
