5XLM
Monomer form of M.tuberculosis PknI sensor domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17B1 |
Synchrotron site | SSRF |
Beamline | BL17B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97906 |
Spacegroup name | P 31 |
Unit cell lengths | 58.791, 58.791, 92.094 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.558 - 2.200 |
R-factor | 0.222 |
Rwork | 0.220 |
R-free | 0.25590 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.658 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.059 | 0.985 |
Rpim | 0.028 | 0.028 |
Number of reflections | 18077 | 909 |
<I/σ(I)> | 28.6 | 1.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.6 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1M succinic acid, pH 7.0, 0.1M HEPES, 1% w/v PEG monomethyl ether 2000 |