1IKP
Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-03-03 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.910, 99.070, 58.630 |
Unit cell angles | 90.00, 97.34, 90.00 |
Refinement procedure
Resolution | 60.000 * - 1.450 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Wild Type EXOTOXIN A 1.62A |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 * | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.031 | 0.117 |
Total number of observations | 293233 * | |
Number of reflections | 116635 | |
<I/σ(I)> | 23.4 | 5.8 |
Completeness [%] | 88.2 | 58 |
Redundancy | 2.52 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 281 | Collier, R.J., (1982) J. Mol. Biol., 157, 413. * |