4NPD
High-resolution structure of C domain of staphylococcal protein A at cryogenic temperature
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 | 2013-04-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 27.250, 38.410, 28.610 |
| Unit cell angles | 90.00, 117.44, 90.00 |
Refinement procedure
| Resolution | 25.390 - 0.900 |
| R-factor | 0.113 |
| Rwork | 0.112 |
| R-free | 0.13000 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.552 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | PHENIX (dev_1664) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 0.920 |
| High resolution limit [Å] | 0.900 | 2.440 | 0.900 |
| Rmerge | 0.066 | 0.045 | 0.197 |
| Number of reflections | 37877 | ||
| <I/σ(I)> | 11.5 | ||
| Completeness [%] | 97.5 | 96 | 77.7 |
| Redundancy | 6.1 | 3.3 | 2.7 |
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 |
