4F8L
X-ray structure of PsaA from Yersinia pestis, in complex with galactose and AEBSF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 26.108, 54.164, 101.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.080 - 1.500 |
| R-factor | 0.141 |
| Rwork | 0.139 |
| R-free | 0.18200 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.393 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.499 | 1.500 |
| Rmerge | 0.109 | 0.538 |
| <I/σ(I)> | 9 | |
| Completeness [%] | 96.8 | 90.7 |
| Redundancy | 4.8 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.2 | 298 | 1.5 M ammonium sulphate, 0.17 M Guanidine HCl, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
