4KRX
Structure of Aes from E. coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-22 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 113.712, 113.712, 151.004 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.1612 |
| Rwork | 0.161 |
| R-free | 0.18980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ga7 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.858 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 10.000 | 1.800 |
| Rmerge | 0.071 | 0.025 | 0.806 |
| Number of reflections | 104093 | 696 | 14815 |
| <I/σ(I)> | 22.43 | 75.85 | 2.82 |
| Completeness [%] | 99.3 | 98.9 | 95.5 |
| Redundancy | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M lithium sulfate, 0.1 M Tris/HCl, 30% w/v PEG4000, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
