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 |