4WHE
Crystal structure of E. coli phage shock protein A (PspA 1-144)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-16 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.91841, 0.97981, 0.979927,0.975915 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.650, 30.377, 80.480 |
| Unit cell angles | 90.00, 115.61, 90.00 |
Refinement procedure
| Resolution | 39.730 - 1.800 |
| R-factor | 0.2156 |
| Rwork | 0.213 |
| R-free | 0.26390 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.874 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.730 | 1.900 | |
| High resolution limit [Å] | 1.800 | 30.000 | 1.800 |
| Rmerge | 0.031 | 0.398 | |
| Rmeas | 0.037 | 0.474 | |
| Total number of observations | 54081 | ||
| Number of reflections | 15969 | 2 | 2347 |
| <I/σ(I)> | 20.46 | 3.54 | |
| Completeness [%] | 96.8 | 40 | 95.6 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 288 | 0.1 M HEPES/NaOH, 10% (w/v) PEG 6000, 5% (v/v) MPD l |
