6DE1
Crystal structure of the single mutant (D52N) of the full-length NT5C2 in the active state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-06 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 90.673, 126.257, 130.706 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.882 - 2.151 |
R-factor | 0.1737 |
Rwork | 0.170 |
R-free | 0.20960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ddy |
RMSD bond length | 0.007 |
RMSD bond angle | 1.007 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | COMO |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.882 | 2.190 |
High resolution limit [Å] | 2.151 | 2.151 |
Rmerge | 0.060 | 0.250 |
Rmeas | 0.060 | 0.260 |
Rpim | 0.020 | 0.100 |
Number of reflections | 40999 | |
<I/σ(I)> | 43.1 | 8.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | |
CC(1/2) | 0.990 | 0.980 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 293 | 0.1 M HEPES (pH 7.5), and 20% (w/v) PEG 1000, 0.1 M ammonium nitrate, 5 mM ATP, 5 mM IMP, 5 mM MgCl2 |