7KP1
CD1a-42:2 SM binary complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.148, 90.139, 105.961 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.070 - 2.020 |
R-factor | 0.1886 |
Rwork | 0.187 |
R-free | 0.22610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6nux |
RMSD bond length | 0.005 |
RMSD bond angle | 0.829 |
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] | 45.070 | 2.070 |
High resolution limit [Å] | 2.020 | 2.020 |
Number of reflections | 27297 | 1965 |
<I/σ(I)> | 9.5 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.5 | |
CC(1/2) | 0.998 | 0.755 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20-25% PEG 1500, 0.1M MMT pH 5.5 |