5UXW
Crystal Structure of Anti-anti-sigma factor PhyR from Bartonella quintana
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-12 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 119.770, 120.980, 83.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.940 - 2.300 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qic |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.937 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_2666) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.940 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.136 | 0.596 |
| Number of reflections | 26897 | |
| <I/σ(I)> | 10.94 | 2.74 |
| Completeness [%] | 98.6 | 99.1 |
| Redundancy | 4.6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | JCSG+(H11): 25% PEG-3350, 100MM BIS -TRIS/HCL, PH=5.5, 200MM MGCL2 , CRYO PROTECTED WITH 20% EG; BAQUA.17156.A.CB1.PS02157 AT 9.1 MG/ML, TRAY 257812 |
