9N43
Crystal structure of none-heme iron enzyme (TqaM) from Trichoderma atroviride bound with iron
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-04-27 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 114.513, 124.972, 187.295 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.250 - 2.600 |
| R-factor | 0.262 |
| Rwork | 0.260 |
| R-free | 0.29170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.486 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.250 | 2.710 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.234 | |
| Number of reflections | 40872 | 4617 |
| <I/σ(I)> | 5.3 | 3.7 |
| Completeness [%] | 98.4 | |
| Redundancy | 5.3 | |
| CC(1/2) | 0.908 | 0.568 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 0.1 M Magnesium acetate, 0.1 M Sodium acetate pH 4.5, 8% (w/v) PEG 8000 |
