4ABZ
TetR(D) in Complex with Tigecycline and Magnesium, co-crystallized
This is a non-PDB format compatible entry.
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 | CCD |
Collection date | 2011-12-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.950000 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 68.490, 68.490, 179.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.477 - 1.886 |
Rwork | 0.213 |
R-free | 0.25830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xpv |
RMSD bond length | 0.014 |
RMSD bond angle | 1.982 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.050 | |
Rmeas | 0.050 | 1.900 |
Number of reflections | 18428 | 1323 |
<I/σ(I)> | 33.95 | 2.04 |
Completeness [%] | 98.2 | 97.2 |
Redundancy | 14.15 | 14.19 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | Protein: 10.0 mg/mL TetR(D), 0.2M NaCl, 50 mM Tris/HCl, pH 8.0, 2mM [TigeTC], 2mM MgCl2. Precipitant: 1M (NH4)2SO4, 0.2M NaCl, 0.05M Tris/HCl, pH 8.0, 10mM MgCl2. Protein/precipitant 2+2 microL, against 0.5mL Precipitant. |