2XPU
TetR(D) in complex with anhydrotetracycline.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-20 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 66.233, 66.233, 179.872 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.120 - 1.550 |
R-factor | 0.23458 |
Rwork | 0.233 |
R-free | 0.27185 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2tct |
RMSD bond length | 0.017 |
RMSD bond angle | 1.609 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.120 | 1.630 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.090 | 0.390 |
Number of reflections | 28088 | |
<I/σ(I)> | 12.6 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.2 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 50 MM MES PH 6.5, 1.1 M (NH4)2SO4, 100 MM NACL, 1 MM EDTA |