6ACA
Crystal structure of Mycobacterium tuberculosis Mfd at 3.6 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-12 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 4 3 2 |
Unit cell lengths | 224.259, 224.259, 224.259 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.640 - 3.600 |
R-factor | 0.2518 |
Rwork | 0.249 |
R-free | 0.29500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ac8 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.567 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.11.1_2575: 000)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.640 | 3.890 |
High resolution limit [Å] | 3.600 | 3.600 |
Rmerge | 0.143 | 1.006 |
Rmeas | 0.159 | 1.141 |
Rpim | 0.052 | 0.382 |
Number of reflections | 22846 | 4588 |
<I/σ(I)> | 8.7 | 2.2 |
Completeness [%] | 99.6 | 99.3 |
Redundancy | 8.7 | 8.7 |
CC(1/2) | 0.998 | 0.381 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 100mM HEPES Sodium pH 7.0, 800mM Ammonium Formate, 20% PEG3350, 7.5mM MgCl2.6H2O |