4C7M
The crystal structure of TcpB or BtpA TIR domain
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 | CCD |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.966, 73.676, 74.759 |
Unit cell angles | 90.00, 93.29, 90.00 |
Refinement procedure
Resolution | 42.420 - 2.570 |
R-factor | 0.2322 |
Rwork | 0.232 |
R-free | 0.24010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h16 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.420 | 42.420 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.089 | 0.790 |
Number of reflections | 18090 | |
<I/σ(I)> | 1.9 | 1.9 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 0.1 M BIS-TRIS PH 5.5, 0.2 M NACL, 25%(W/V) PEG 3350 |