7TB0
E. faecium MurAA in complex with fosfomycin and UNAG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-08-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.030, 96.810, 96.821 |
| Unit cell angles | 115.06, 99.15, 103.88 |
Refinement procedure
| Resolution | 47.820 - 1.650 |
| R-factor | 0.11788 |
| Rwork | 0.116 |
| R-free | 0.15752 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3r38 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.705 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.990 | 1.709 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.101 | 0.828 |
| Rmeas | 0.117 | 0.956 |
| Number of reflections | 257217 | 25318 |
| <I/σ(I)> | 9.09 | 1.94 |
| Completeness [%] | 97.3 | 95.68 |
| Redundancy | 4 | 4 |
| CC(1/2) | 0.995 | 0.635 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 2.5mM UNAG and 2.5mM fosfomycin in the buffer containing 0.22 M Potassium sodium tartrate tetrahydrate, 26% w/v Polyethylene glycol 3,350, pH 7.4 |
