6CON
Crystal structure of Mycobacterium tuberculosis IpdAB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-08-07 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.97777 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.878, 133.823, 118.845 |
Unit cell angles | 90.00, 90.23, 90.00 |
Refinement procedure
Resolution | 88.860 - 2.100 |
R-factor | 0.2522 |
Rwork | 0.251 |
R-free | 0.27430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6co6 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 88.860 | 88.860 | 2.140 |
High resolution limit [Å] | 2.100 | 11.500 | 2.100 |
Rmerge | 0.070 | 0.031 | 0.185 |
Rmeas | 0.081 | 0.037 | 0.219 |
Rpim | 0.041 | 0.020 | 0.116 |
Total number of observations | 456667 | 2781 | 16927 |
Number of reflections | 119998 | 779 | 5023 |
<I/σ(I)> | 12.2 | 19 | 4.8 |
Completeness [%] | 98.7 | 99.5 | 84.3 |
Redundancy | 3.8 | 3.6 | 3.4 |
CC(1/2) | 0.995 | 0.998 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG 3350, 0.5 M magnesium formate |