7B35
MST3 in complex with compound MRIA13
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00004 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.875, 93.210, 61.303 |
Unit cell angles | 90.00, 92.19, 90.00 |
Refinement procedure
Resolution | 47.898 - 2.400 |
R-factor | 0.20779101366 |
Rwork | 0.205 |
R-free | 0.26348 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zhp |
RMSD bond length | 0.004 |
RMSD bond angle | 0.667 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.900 | 2.480 |
High resolution limit [Å] | 2.400 | 2.400 |
Rpim | 0.059 | 0.353 |
Number of reflections | 24436 | 2563 |
<I/σ(I)> | 9.2 | 2.3 |
Completeness [%] | 99.2 | 99.1 |
Redundancy | 5.6 | 5.4 |
CC(1/2) | 0.995 | 0.823 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Protein solution: 10 mg/ml in buffer 25 mM HEPES pH 7.5, 200 mM NaCl, 5% glycerol, 0.5 mM TCEP. reservoir: 24% PEG 3550, 0.1M citrate pH 5.6. |