2AUT
Crystal structure of Lys154Asn mutant of mature AphA of S. typhimurium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2004-01-31 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.737, 84.477, 149.268 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.250 |
Rwork | 0.151 |
R-free | 0.19700 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | Partially refined structure of wild-type APHA (PDB code 1Z5G) with all HET atoms (HOH MG etc.) removed and side chain of Lys154 replaced with ALA was used as the starting model. A random error of 0.2A was added to the atomic coordinates of the starting model. |
RMSD bond length | 0.006 |
RMSD bond angle | 1.000 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (/ TRUNCATE) |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.360 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.055 | 0.162 |
Number of reflections | 40671 | |
<I/σ(I)> | 13.5 | 7.1 |
Completeness [%] | 94.5 | 91.4 |
Redundancy | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | vapour diffusion sitting-drop, micro-seeding | 4.7 | 293 | PEG 6000, magnesium chloride, sodium acetate, dihydrogen phosphate , pH 4.7, vapour diffusion sitting-drop, micro-seeding, temperature 293K |