1PWW
Crystal structure of Anthrax Lethal Factor active site mutant protein complexed with an optimised peptide substrate in the presence of zinc.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-11-23 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 96.700, 137.400, 98.300 |
Unit cell angles | 90.00, 98.00, 90.00 |
Refinement procedure
Resolution | 30.000 * - 2.800 |
R-factor | 0.238 |
Rwork | 0.238 |
R-free | 0.27700 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 1J7N |
RMSD bond length | 0.008 |
RMSD bond angle | 21.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.066 * | 0.409 * |
Total number of observations | 94088 * | |
Number of reflections | 54931 * | |
<I/σ(I)> | 12 | 2.3 |
Completeness [%] | 86.8 * | 76 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 21-29 * | Ammonium sulphate, Tris-HCl, EDTA. , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 1.7 (M) | |
2 | 1 | reservoir | Tris-HCl | 0.2 (M) | pH8.0 |
3 | 1 | reservoir | EDTA | 2 (mM) | |
4 | 1 | drop | protein | 13 (mg/ml) |