6KGL
LSD1-CoREST-S2101 N5 adduct model
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-02-01 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 119.545, 178.549, 234.194 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.960 - 2.700 |
| R-factor | 0.1777 |
| Rwork | 0.177 |
| R-free | 0.20480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.878 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.960 | 2.760 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmeas | 0.074 | 1.341 |
| Rpim | 0.027 | 0.482 |
| Number of reflections | 68943 | 4590 |
| <I/σ(I)> | 18.1 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.6 | 7.6 |
| CC(1/2) | 0.999 | 0.790 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M N-(carbamoylmethyl)iminodiacetic acid (pH 5.5), 1.28 M potassium sodium tartrate |
