6DDZ
Crystal structure of the double mutant (D52N/R238W) of NT5C2-537X in the active state, Northeast Structural Genomics Target
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 | 2015-04-12 |
Detector | SBC-2 |
Wavelength(s) | 0.979 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 92.677, 127.293, 131.131 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.583 - 1.970 |
R-factor | 0.1805 |
Rwork | 0.178 |
R-free | 0.20290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ddh |
RMSD bond length | 0.006 |
RMSD bond angle | 0.844 |
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] | 33.583 | 2.050 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.076 | 0.588 |
Rmeas | 0.080 | 0.639 |
Rpim | 0.023 | 0.244 |
Number of reflections | 54413 | 6045 |
<I/σ(I)> | 30.9 | 2.9 |
Completeness [%] | 99.8 | 100 |
Redundancy | 10.1 | 6.6 |
CC(1/2) | 0.980 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7 | 293 | 35% (w/v) tascimate (pH 7) |