3TEY
Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) Mutant S337C N664C to 2.06-A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1159 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.563, 94.602, 119.804 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.857 - 2.120 |
R-factor | 0.2082 |
Rwork | 0.207 |
R-free | 0.23410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.041 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.060 | 2.120 |
High resolution limit [Å] | 2.120 | 2.060 |
Rmerge | 0.114 | 0.868 |
Number of reflections | 50702 | |
<I/σ(I)> | 15.7 | 2.5 |
Completeness [%] | 99.9 | 89 |
Redundancy | 7.6 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 30% (15/4 EO/OH), 0.05M bis-tris-Cl, 0.05M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |