6DDN
The sulfate-binding protein SubI from Mycobacterium tuberculosis H37Rv
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-31 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.4586 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 243.732, 243.732, 243.732 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.906 - 2.295 |
R-factor | 0.272 |
Rwork | 0.270 |
R-free | 0.31300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sbp |
RMSD bond length | 0.005 |
RMSD bond angle | 0.701 |
Data reduction software | XDS (Nov 11, 2017 BUILT=20180124) |
Data scaling software | XDS (Nov 11, 2017 BUILT=20180124) |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.910 | 2.430 |
High resolution limit [Å] | 2.295 | 2.295 |
Rmerge | 0.379 | 11.300 |
Rmeas | 0.382 | 11.500 |
Number of reflections | 27656 | 4395 |
<I/σ(I)> | 15.65 | 0.32 |
Completeness [%] | 97.6 | 98.3 |
Redundancy | 65.6 | 30.8 |
CC(1/2) | 0.999 | 0.604 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Tris 100 mM pH 8.5, Sodium acetate 200 mM e PEG 4000 16% (w/v) |