4TKR
Native-SAD phasing for ThiT from Listeria monocytogenes serovar.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-24 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 2.07366 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 95.647, 95.647, 125.027 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.315 - 3.002 |
R-factor | 0.1997 |
Rwork | 0.198 |
R-free | 0.23430 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.660 |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.000 |
High resolution limit [Å] | 3.000 |
Number of reflections | 13687 |
<I/σ(I)> | 39.9 |
Completeness [%] | 99.8 |
Redundancy | 140.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M ammonium acetate, 0.1 M tri-sodium citrate dihydrate, pH 5.6, 30% w/v polyethylene glycol (PEG) 4000, 3% glycerol |