7NNC
Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal-5'-phosphate and 6-Methoxyquinoline-3-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 | 65.461, 184.944, 71.578 |
| Unit cell angles | 90.00, 106.06, 90.00 |
Refinement procedure
| Resolution | 68.780 - 1.700 |
| R-factor | 0.1463 |
| Rwork | 0.145 |
| R-free | 0.16220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4adb |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.780 | 68.780 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.310 | 1.700 |
| Rmerge | 0.029 | 0.029 | 0.089 |
| Rmeas | 0.033 | 0.032 | 0.100 |
| Rpim | 0.014 | 0.014 | 0.044 |
| Total number of observations | 948793 | 5314 | 41174 |
| Number of reflections | 177420 | 1071 | 8457 |
| <I/σ(I)> | 34 | 58.9 | 12.1 |
| Completeness [%] | 99.3 | 96.3 | 95.6 |
| Redundancy | 5.3 | 5 | 4.9 |
| CC(1/2) | 0.999 | 0.998 | 0.994 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.1 M Bis-Tris Propane pH 8.5 18% PEG Smear High (PEGs 6K, 8K, 10K) 0.2 M ammonium nitrate 10 mM nickel chloride |
