6VJ5
Structure of PE25-PPE41(A124L) in complex with EspG5 chaperone from the type VII (ESX-5) secretion system
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 | 2014-03-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 139.020, 139.020, 170.570 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.505 - 2.400 |
| R-factor | 0.2121 |
| Rwork | 0.210 |
| R-free | 0.25380 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4kxr |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.590 |
| Data reduction software | XDS (VERSION January 10, 2014 BUILT=20140307) |
| Data scaling software | XSCALE (VERSION January 10, 2014 BUILT=20140307) |
| Phasing software | PHENIX (1.8.4_1496) |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.505 | 45.505 | 2.460 |
| High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
| Rmerge | 0.154 | 0.136 | 0.964 |
| Rmeas | 0.174 | 0.157 | 1.080 |
| Number of reflections | 38512 | 501 | 2755 |
| <I/σ(I)> | 6.73 | 10.03 | 2.01 |
| Completeness [%] | 99.7 | 94.2 | 99.4 |
| Redundancy | 4.844 | 3.94 | 4.898 |
| CC(1/2) | 0.975 | 0.973 | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | JCSG Core I Suite condition C9: 0.2M potassium thiocyanate, 20% (w/v) PEG3350 |
