7NMS
InlB392_T332E: T332E variant of Listeria monocytogenes InlB (internalin B) residues 36-392
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-18 |
Detector | DECTRIS PILATUS3 S 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.410, 88.730, 102.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.770 - 1.800 |
R-factor | 0.1736 |
Rwork | 0.171 |
R-free | 0.21750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h6t 2y5p |
RMSD bond length | 0.004 |
RMSD bond angle | 0.647 |
Data reduction software | XDS (VERSION Jan 26, 2018 BUILT=20180307) |
Data scaling software | XSCALE (VERSION Jan 26, 2018 BUILT=20180307) |
Phasing software | PHASER |
Refinement software | PHENIX (dev_3965) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.069 | 159.900 |
Number of reflections | 37383 | 2714 |
<I/σ(I)> | 23.59 | 1.88 |
Completeness [%] | 99.9 | 100 |
Redundancy | 13.2 | 13.5 |
CC(1/2) | 1.000 | 0.807 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | Reservoir solution: 0.1 M succinate, pH 7.0, 0.2 M Li2SO4, 22.5 % PEG mixture consisting of equal amounts of eight low molecular weight PEGs (PEG 300, PEG 400, PEG 500MME, PEG 550MME, PEG 600, PEG 750MME, PEG 1,000, PEG 1,000MME); Protein solution: 10 mg/ml in 10 mM Tris, pH 8.0, 20 mM NaCl; Drop size: 100 nl + 100 nl (protein + reservoir) |