6DDL
Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the basal state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-28 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.446, 123.634, 91.251 |
Unit cell angles | 90.00, 115.51, 90.00 |
Refinement procedure
Resolution | 49.438 - 2.260 |
R-factor | 0.1991 |
Rwork | 0.194 |
R-free | 0.24320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ddc |
RMSD bond length | 0.007 |
RMSD bond angle | 0.887 |
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] | 49.440 | 2.310 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.120 | 0.540 |
Rmeas | 0.130 | 0.540 |
Rpim | 0.050 | 0.200 |
Number of reflections | 67088 | |
<I/σ(I)> | 21.4 | 3.2 |
Completeness [%] | 99.9 | |
Redundancy | 7.5 | 7.1 |
CC(1/2) | 0.950 | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 4.6 | 293 | sodium acetate trihydrate (pH 4.6) and 30% (v/v) 2-Methyl-2, 4-pentanediol (MPD), 20 mM calcium chloride dihydrate |