5HEV
Crystal Structure of the beryllofluoride-activated LiaR from Enterococcus faecium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 31 |
| Unit cell lengths | 68.032, 68.032, 276.949 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.016 - 3.192 |
| R-factor | 0.2233 |
| Rwork | 0.219 |
| R-free | 0.27040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4if4 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.569 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2474: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.260 |
| High resolution limit [Å] | 3.200 | 8.670 | 3.200 |
| Rmerge | 0.115 | 0.027 | 0.831 |
| Rmeas | 0.128 | 0.030 | |
| Rpim | 0.065 | 0.013 | 0.558 |
| Total number of observations | 82921 | ||
| Number of reflections | 23488 | ||
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 98.3 | 95.6 | 97.9 |
| Redundancy | 3.5 | 3.8 | 2.9 |
| CC(1/2) | 0.980 | 0.549 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 283 | 0.1 M magnesium formate dehydrate, 15 % w/v Polyethylene glycol 3,350 |
