7NNV
Crystal structure of Mycobacterium tuberculosis ArgF in complex with carbamoyl phosphate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-06 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.441, 142.371, 99.023 |
| Unit cell angles | 90.00, 117.17, 90.00 |
Refinement procedure
| Resolution | 49.550 - 1.670 |
| R-factor | 0.1622 |
| Rwork | 0.161 |
| R-free | 0.18050 |
| 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] | 88.100 | 88.100 | 1.760 |
| High resolution limit [Å] | 1.670 | 5.270 | 1.670 |
| Rmerge | 0.056 | 0.025 | 1.186 |
| Rmeas | 0.062 | 0.027 | 1.351 |
| Rpim | 0.026 | 0.012 | 0.634 |
| Total number of observations | 1330397 | 43412 | 151816 |
| Number of reflections | 259225 | 8389 | 36285 |
| <I/σ(I)> | 13.6 | 47.1 | 0.9 |
| Completeness [%] | 99.2 | 99.8 | 95.2 |
| Redundancy | 5.1 | 5.2 | 4.2 |
| CC(1/2) | 0.999 | 0.999 | 0.460 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 150 mM ammonium dihydrogen phosphate 10 mM praseodymium acetate |
