5WZ4
Crystal structure of Mycobacterium tuberculosis VapC20 (Rv2549c), Sarcin-Ricin loop cleaving toxin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97885 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.820, 59.280, 78.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.317 - 1.775 |
R-factor | 0.1765 |
Rwork | 0.175 |
R-free | 0.21200 |
Structure solution method | SAD |
RMSD bond length | 0.003 |
RMSD bond angle | 0.683 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | SOLVE |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.620 | 18.324 | 1.870 |
High resolution limit [Å] | 1.775 | 5.610 | 1.780 |
Rmerge | 0.031 | 0.601 | |
Rmeas | 0.128 | 0.055 | 0.802 |
Rpim | 0.060 | 0.026 | 0.383 |
Total number of observations | 98358 | ||
Number of reflections | 22721 | ||
<I/σ(I)> | 7.5 | 16.1 | 1.1 |
Completeness [%] | 99.9 | 97.2 | 100 |
Redundancy | 4.3 | 3.8 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1M Potassium thiocyanate, 30% w/v Polyethylene glycol monomethyl ether 2000 |