9IR6
Crystal structure of UDP-N-acetylmuramic Acid L-alanine ligase (MurC) from Roseburia faecis in complex with UNAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL18U |
| Synchrotron site | NFPSS |
| Beamline | BL18U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2023-05-06 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.982, 76.688, 94.943 |
| Unit cell angles | 90.00, 97.46, 90.00 |
Refinement procedure
| Resolution | 47.070 - 2.430 |
| R-factor | 0.1905 |
| Rwork | 0.188 |
| R-free | 0.22840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.517 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.430 | 2.560 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Number of reflections | 39944 | 39944 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 98.8 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.996 | 0.846 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1 M ammonium acetate, 0.1 M BIS-TRIS pH5.7, 15%(w/v) PEG 10,000 |
