5GVX
Structural insight into dephosphorylation by Trehalose 6-phosphate Phosphatase (OtsB2) from Mycobacterium Tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BSRF BEAMLINE 1W2B |
Synchrotron site | BSRF |
Beamline | 1W2B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-21 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.669, 89.069, 105.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.755 - 2.596 |
R-factor | 0.2167 |
Rwork | 0.212 |
R-free | 0.25760 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.005 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.596 |
Number of reflections | 12692 |
<I/σ(I)> | 17.3 |
Completeness [%] | 99.8 |
Redundancy | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20mMsodiumacetate trihydrate, pH 4.6, 50 mM CaCl2, 5% 2-propanol, 160 mM ammonium formate,16% polyethylene glycol 3350 |