3C0O
Crystal structure of the proaerolysin mutant Y221G complexed with mannose-6-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2007-10-27 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.954, 90.780, 165.805 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.200 - 2.500 |
| R-factor | 0.20658 |
| Rwork | 0.203 |
| R-free | 0.27377 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c0n |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.005 |
| 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] | 61.200 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.094 | 0.389 |
| Number of reflections | 37597 | |
| <I/σ(I)> | 14.01 | 4.1 |
| Completeness [%] | 99.3 | 98.7 |
| Redundancy | 4.8 | 4.5 |
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 |
