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. * |
