5E57
Crystal structure of Mycobacterium smegmatis AmtR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-14 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.954 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 181.850, 105.790, 39.570 |
Unit cell angles | 90.00, 94.46, 90.00 |
Refinement procedure
Resolution | 37.250 - 1.980 |
R-factor | 0.2072 |
Rwork | 0.205 |
R-free | 0.24750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.876 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.2.17) |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.250 | 37.250 | 2.030 |
High resolution limit [Å] | 1.980 | 9.080 | 1.980 |
Rmerge | 0.107 | 0.057 | 0.694 |
Rpim | 0.043 | 0.024 | 0.304 |
Total number of observations | 336413 | 3487 | 18392 |
Number of reflections | 50329 | ||
<I/σ(I)> | 9.6 | 22.1 | 2.1 |
Completeness [%] | 97.1 | 96.9 | 90.5 |
Redundancy | 6.7 | 6.3 | 5.7 |
CC(1/2) | 0.997 | 0.997 | 0.769 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | Na acetate, Na formate, |