1XK9
Pseudomanas exotoxin A in complex with the PJ34 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-11-20 |
Detector | MARRESEARCH |
Wavelength(s) | 1.046 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.040, 78.680, 91.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.100 |
R-factor | 0.213 |
Rwork | 0.213 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aer |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.300 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.108 | 0.236 |
Number of reflections | 24276 | |
<I/σ(I)> | 13.35 | 7.7 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.8 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | sodium citrate, DTT, NaAzid, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |