9JMX
Crystal structure of IRED-M235A in complex with NADP+ and substrate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-01 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 78.753, 78.753, 160.405 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.590 - 2.040 |
| R-factor | 0.2082 |
| Rwork | 0.206 |
| R-free | 0.25964 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.706 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.590 | 2.070 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.067 | 0.453 |
| Number of reflections | 37464 | 1591 |
| <I/σ(I)> | 15.37 | |
| Completeness [%] | 99.8 | |
| Redundancy | 7.84 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 0.03 M CaCl2, 0.1M MES pH 6.0, 49% v/v PEG 200 |
