4KRY
Structure of Aes from E. coli in covalent complex with PMS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-11-13 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.8416 |
| Spacegroup name | P 41 |
| Unit cell lengths | 111.401, 111.401, 282.187 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.370 - 2.300 |
| R-factor | 0.1803 |
| Rwork | 0.179 |
| R-free | 0.20870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4krx |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.447 |
| 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] | 30.000 | 30.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 10.000 | 2.300 |
| Rmerge | 0.055 | 0.021 | 0.344 |
| Number of reflections | 151348 | 1686 | 18165 |
| <I/σ(I)> | 19.81 | 47.91 | 5.19 |
| Completeness [%] | 99.8 | 89.8 | 100 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2 M sodium acetate, 0.1 M Tris/HCl, 18% w/v PEG4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
