3IX8
LasR-TP3 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.182, 85.214, 76.596 |
Unit cell angles | 90.00, 96.44, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.800 |
R-factor | 0.20568 |
Rwork | 0.203 |
R-free | 0.24918 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ix3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.122 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 62337 | |
<I/σ(I)> | 27.8 | 5.3 |
Completeness [%] | 97.3 | 88.2 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 276 | 16% PEG 4000, 0.04 M HEPES, 0.08 M calcium acetate, 0.003 M DTT, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 276K |