4AC0
TETR(B) IN COMPLEX WITH MINOCYCLINE AND MAGNESIUM
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 | 2010-03-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 71.880, 71.880, 93.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.970 - 2.450 |
| R-factor | 0.237 |
| Rwork | 0.234 |
| R-free | 0.29376 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2tct |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.793 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.910 | 2.600 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.120 | 0.910 |
| Number of reflections | 17118 | |
| <I/σ(I)> | 20.9 | 2.34 |
| Completeness [%] | 99.2 | 97 |
| Redundancy | 6.3 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
