7KP0
CD1a-42:1 SM binary complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-16 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.469, 90.918, 107.351 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.860 - 2.400 |
R-factor | 0.1937 |
Rwork | 0.190 |
R-free | 0.26440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6nux |
RMSD bond length | 0.007 |
RMSD bond angle | 0.983 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.220 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 16921 | 1749 |
<I/σ(I)> | 13.2 | 2.2 |
Completeness [%] | 99.9 | |
Redundancy | 7.2 | |
CC(1/2) | 0.998 | 0.731 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20-25% PEG 1500, 0.1M MMT pH 5.5 |