9NYJ
MoaC-pyranopterin [(alpha-beta-methyleno]triphosphate covalent complex in the absence of Mg2+
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-12-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.03 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 96.754, 96.754, 56.804 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.380 - 2.490 |
| R-factor | 0.2315 |
| Rwork | 0.227 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.385 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.380 | 2.340 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmeas | 1.000 | |
| Rpim | 0.015 | 0.695 |
| Number of reflections | 7422 | 1835 |
| <I/σ(I)> | 23 | |
| Completeness [%] | 97.0 | |
| Redundancy | 13 | |
| CC(1/2) | 1.000 | 0.512 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 300 100 mM Sodium phosphate dibasic/ Citric acid pH 4.2 200 mM Ammonium sulfate dibasic 10% (v/v) Glycerol |
