6DE3
Crystal structure of the double mutant (R39Q/D52N) of the full-length NT5C2 in the active state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-29 |
Detector | SBC-2 |
Wavelength(s) | 0.979 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 92.362, 129.098, 131.016 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.181 - 3.060 |
R-factor | 0.1732 |
Rwork | 0.167 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ddh |
RMSD bond length | 0.008 |
RMSD bond angle | 0.988 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | COMO |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.181 | 3.120 |
High resolution limit [Å] | 3.060 | 3.060 |
Rmerge | 0.140 | 0.560 |
Rmeas | 0.150 | 0.560 |
Rpim | 0.070 | 0.250 |
Number of reflections | 14798 | 872 |
<I/σ(I)> | 9.8 | 2.9 |
Completeness [%] | 99.2 | 99.9 |
Redundancy | 4.7 | 4.7 |
CC(1/2) | 0.960 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 293 | 100 mM HEPES (pH 7.5), 12% (w/v) PEG 3350, 5 mM ATP, 5 mM IMP, and 5 mM MgCl2 |