7NN1
Crystal structure of Mycobacterium tuberculosis ArgD with prosthetic group pyridoxal 5'-phosphate
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 | 2019-02-23 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.055, 184.265, 71.545 |
Unit cell angles | 90.00, 106.10, 90.00 |
Refinement procedure
Resolution | 46.812 - 1.540 |
R-factor | 0.1781 |
Rwork | 0.177 |
R-free | 0.19880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4adb |
Data reduction software | autoPROC |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 62.500 | 62.500 | 1.620 |
High resolution limit [Å] | 1.539 | 4.870 | 1.540 |
Rmerge | 0.073 | 0.046 | 0.967 |
Rmeas | 0.081 | 0.051 | 1.124 |
Rpim | 0.035 | 0.022 | 0.559 |
Total number of observations | 38138 | 75420 | |
Number of reflections | 218441 | 7618 | 20903 |
<I/σ(I)> | 9.4 | 20 | 1.1 |
Completeness [%] | 91.7 | 99.5 | 60.2 |
Redundancy | 4.9 | 5 | 3.6 |
CC(1/2) | 0.998 | 0.998 | 0.438 |
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 |