7NPH
Crystal structure of Mycobacterium tuberculosis ArgC in complex with 5-methoxy-1,3-benzoxazole-2-carboxylic acid
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 | 2019-06-30 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.290, 132.780, 122.818 |
Unit cell angles | 90.00, 90.17, 90.00 |
Refinement procedure
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.593 | 69.590 | 2.640 |
High resolution limit [Å] | 2.570 | 11.490 | 2.570 |
Rmerge | 0.074 | 0.035 | 1.639 |
Rmeas | 0.082 | 0.038 | 1.812 |
Rpim | 0.034 | 0.016 | 0.761 |
Total number of observations | 5440 | 34746 | |
Number of reflections | 86043 | 1016 | 6338 |
<I/σ(I)> | 11 | 38.2 | 1 |
Completeness [%] | 100.0 | 99 | 100 |
Redundancy | 5.4 | 5.4 | 5.5 |
CC(1/2) | 0.999 | 0.996 | 0.522 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Bis-Tris pH 7 17% PEG Smear High 70 mM phosphate/citrate pH 5.6 20% glycerol |