9WH5
Isomerase at 120K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU PhotonJet-R |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2024-10-01 |
| Detector | RIGAKU HyPix-3000 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.100, 36.220, 54.690 |
| Unit cell angles | 90.00, 96.01, 90.00 |
Refinement procedure
| Resolution | 22.990 - 2.000 |
| R-factor | 0.2249 |
| Rwork | 0.222 |
| R-free | 0.25180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.682 |
| Data reduction software | CrysalisPro (1.171.42.35a) |
| Data scaling software | CrysalisPro (1.171.42.35a) |
| Phasing software | PHENIX (1.20.1) |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.990 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 13603 | 1364 |
| <I/σ(I)> | 20.31 | |
| Completeness [%] | 98.3 | |
| Redundancy | 5.6 | |
| CC(1/2) | 0.997 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | Ammonium Sulfate, Sodium Chloride, TRIS |
