4NPE
High-resolution structure of C domain of staphylococcal protein A at room temperature
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2013-04-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 27.840, 38.560, 28.960 |
| Unit cell angles | 90.00, 118.20, 90.00 |
Refinement procedure
| Resolution | 25.520 - 1.420 |
| R-factor | 0.114 |
| Rwork | 0.111 |
| R-free | 0.14300 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.444 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.440 |
| High resolution limit [Å] | 1.420 | 3.850 | 1.420 |
| Rmerge | 0.072 | 0.049 | 0.330 |
| Number of reflections | 9893 | ||
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 97.0 | 99.3 | 73.6 |
| Redundancy | 5.7 | 6.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Na Thiocyanate, PEG 3350, Glycerol, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
