5XLL
Dimer form of M. tuberculosis PknI sensor domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 136.014, 136.014, 136.014 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.088 - 2.201 |
| R-factor | 0.2269 |
| Rwork | 0.224 |
| R-free | 0.25660 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.253 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.093 | 0.824 |
| Rmeas | 0.030 | |
| Rpim | 0.258 | |
| Number of reflections | 21387 | 1450 |
| <I/σ(I)> | 55.1 | 4.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.8 | 11.2 |
| CC(1/2) | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.1 M sodium malonate, 0.1M HEPES, 0.5% v/v Jeffamine ED-2001, pH 7.0 |
