6KGO
LSD1-S2157 five-membered ring 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 | 2015-06-05 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 185.703, 185.703, 108.500 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.600 - 2.250 |
R-factor | 0.1749 |
Rwork | 0.173 |
R-free | 0.20430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.873 |
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] | 48.060 | 2.320 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmeas | 0.110 | 2.560 |
Rpim | 0.028 | 0.653 |
Number of reflections | 52531 | 4503 |
<I/σ(I)> | 22.5 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.8 | 14.9 |
CC(1/2) | 0.999 | 0.773 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M MES (pH 6.2-6.3), 0.2M diammonium tartrate, 0.0005M TCEP, 10% PEG3350 |