9QUR
Crystal structure of gamma-Glutamyl-Methylamide Synthetase from Methylovorus mays (MmGmaS) in complex with ATPgS
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-08 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.740, 246.923, 105.760 |
| Unit cell angles | 90.00, 111.17, 90.00 |
Refinement procedure
| Resolution | 90.890 - 2.650 |
| R-factor | 0.22552 |
| Rwork | 0.225 |
| R-free | 0.25968 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.435 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.890 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Number of reflections | 97024 | 4488 |
| <I/σ(I)> | 4.2 | 0.9 |
| Completeness [%] | 98.7 | |
| Redundancy | 6.1 | |
| CC(1/2) | 0.900 | 0.354 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.03M Magnesium chloride hexahydrate, 0.03M Calcium chloride dihydrate, 20% v/v Ethylene glycol, 10 % w/v PEG 8000, 0.1 M Imidazole, 0.1 M MES monohydrate, pH 6.5 |
