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 |