3C0N
Crystal structure of the proaerolysin mutant Y221G at 2.2 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.95360 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.360, 89.768, 166.616 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.820 - 2.200 |
| R-factor | 0.19164 |
| Rwork | 0.189 |
| R-free | 0.23828 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c0m |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.727 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.3.0008) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.820 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.118 | 0.527 |
| Number of reflections | 54407 | |
| <I/σ(I)> | 27.04 | 7.98 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.3 | 18.2 |
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 |
