7NP0
Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-nitrophenyl)boronic acid.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 92.035, 143.447, 97.526 |
Unit cell angles | 90.00, 117.54, 90.00 |
Refinement procedure
Resolution | 70.460 - 1.760 |
R-factor | 0.1628 |
Rwork | 0.162 |
R-free | 0.18160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p2g |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 70.460 | 70.460 | 1.850 |
High resolution limit [Å] | 1.760 | 5.550 | 1.760 |
Rmerge | 0.052 | 0.047 | 0.564 |
Rmeas | 0.058 | 0.053 | 0.628 |
Rpim | 0.025 | 0.023 | 0.272 |
Total number of observations | 1149709 | 34762 | 167284 |
Number of reflections | 222029 | 7132 | 32413 |
<I/σ(I)> | 16 | 36.2 | 2.7 |
Completeness [%] | 99.7 | 99.3 | 99.8 |
Redundancy | 5.2 | 4.9 | 5.2 |
CC(1/2) | 0.998 | 0.997 | 0.830 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 150 mM ammonium dihydrogen phosphate 10 mM praseodymium acetate |