3C0M
Crystal structure of the proaerolysin mutant Y221G
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 291 |
Detector technology | IMAGE PLATE |
Collection date | 2005-10-01 |
Detector | MARRESEARCH |
Wavelength(s) | 0.82 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.618, 92.434, 169.049 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.560 - 2.880 |
R-factor | 0.235 |
Rwork | 0.199 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pre |
RMSD bond length | 0.080 |
RMSD bond angle | 1.500 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.580 | 3.000 |
High resolution limit [Å] | 2.880 | 2.880 |
Rmerge | 0.123 | 0.512 |
Number of reflections | 24769 | |
<I/σ(I)> | 10.39 | 2.24 |
Completeness [%] | 91.7 | 67.4 |
Redundancy | 2.8 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 291 | 9-11% PEG 4000, 100mM sodium acetate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K |