7NNR
Crystal structure of Mycobacterium tuberculosis ArgC in complex with xanthene-9-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 140.709, 78.227, 87.636 |
Unit cell angles | 90.00, 127.51, 90.00 |
Refinement procedure
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.510 | 69.510 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.035 | 0.021 | 0.106 |
Rmeas | 0.038 | 0.024 | 0.121 |
Rpim | 0.017 | 0.011 | 0.058 |
Total number of observations | 417201 | 2721 | 15597 |
Number of reflections | 81979 | 587 | 3945 |
<I/σ(I)> | 29.3 | 53.6 | 10.2 |
Completeness [%] | 99.0 | 99.2 | 89.6 |
Redundancy | 5.1 | 4.6 | 4 |
CC(1/2) | 0.999 | 0.999 | 0.988 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Bis-Tris pH 5.5 17% PEG Smear High (PEGs 6K, 8K, 10K) 75 mM phosphate/citrate buffer pH 5.6 |