6DDC
Crystal structure of the single mutant (D52N) of NT5C2-537X in the basal state, Northeast Structural Genomics Consortium Target
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-30 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.555, 124.151, 90.736 |
| Unit cell angles | 90.00, 116.25, 90.00 |
Refinement procedure
| Resolution | 39.424 - 2.910 |
| R-factor | 0.1873 |
| Rwork | 0.181 |
| R-free | 0.26430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ddb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.967 |
| 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] | 39.424 | 3.030 |
| High resolution limit [Å] | 2.910 | 2.910 |
| Rmerge | 0.110 | 0.480 |
| Rmeas | 0.120 | 0.580 |
| Rpim | 0.070 | 0.320 |
| Number of reflections | 30412 | 3328 |
| <I/σ(I)> | 8.9 | 1.9 |
| Completeness [%] | 96.6 | 96.5 |
| Redundancy | 3.2 | 2.9 |
| CC(1/2) | 0.940 | 0.800 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 293 | 100 mM sodium acetate trihydrate (pH 4.6) and 2 M ammonium sulfate |
