1Y2I
Crystal Structure of MCSG Target APC27401 from Shigella flexneri
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 32-ID |
| Synchrotron site | APS |
| Beamline | 32-ID |
| Temperature [K] | 99.8 |
| Detector technology | CCD |
| Collection date | 2004-10-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.918, 79.200, 109.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.300 |
| R-factor | 0.19548 |
| Rwork | 0.192 |
| R-free | 0.25554 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.367 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.066 | 0.112 |
| Number of reflections | 22667 | |
| <I/σ(I)> | 15.4 | 16.7 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 5.5 | 10.06 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.2M Ammonium Sulfate, 0.1 M Sodium Acetate, 25% PEG 4000, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
