4XXX
Structure of PE-PPE domains of ESX-1 secreted protein EspB, C2221
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-04 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 67.336, 69.579, 119.595 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.797 - 1.500 |
| R-factor | 0.1949 |
| Rwork | 0.194 |
| R-free | 0.21800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4xwp |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.518 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | REFMAC (5.8.0103) |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 59.797 | 44.855 | 1.580 |
| High resolution limit [Å] | 1.500 | 4.750 | 1.500 |
| Rmerge | 0.016 | 0.747 | |
| Rmeas | 0.052 | ||
| Rpim | 0.022 | 0.007 | 0.365 |
| Total number of observations | 241572 | 8413 | 32638 |
| Number of reflections | 44932 | ||
| <I/σ(I)> | 18.6 | 71.1 | 2 |
| Completeness [%] | 99.7 | 99.9 | 98.3 |
| Redundancy | 5.4 | 5.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 298 | 0.2 M potassium dihydrogen phosphate, 20% PEG3350 |
