5ES8
Crystal structure of the initiation module of LgrA in the thiolation state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2015-05-12 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.550, 101.050, 138.740 |
| Unit cell angles | 90.00, 91.77, 90.00 |
Refinement procedure
| Resolution | 47.472 - 2.547 |
| R-factor | 0.2272 |
| Rwork | 0.225 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5es6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.146 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.472 | 50.000 | 2.640 |
| High resolution limit [Å] | 2.547 | 7.050 | 2.600 |
| Rmerge | 0.104 | 0.053 | |
| Rmeas | 0.120 | 0.066 | |
| Rpim | 0.075 | 0.038 | 0.878 |
| Total number of observations | 224938 | ||
| Number of reflections | 65693 | ||
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 99.0 | 98.2 | 98.2 |
| Redundancy | 3.4 | 3 | 2.9 |
| CC(1/2) | 0.994 | 0.535 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 12% PEG 20 000, 0.1 M MES pH 6.7 |
