Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-21 |
Detector | RIGAKU SATURN 70 |
Wavelength(s) | 1.5418 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 68.459, 68.459, 180.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.200 - 2.300 |
Rwork | 0.233 |
R-free | 0.27920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xpv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.765 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.081 | 0.498 |
Number of reflections | 9565 | 863 |
<I/σ(I)> | 11 | 1.8 |
Completeness [%] | 96.0 | 88.6 |
Redundancy | 5.83 | 3.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | Native crystal soaked in 1M (NH4)2SO4, 0.2M NaCl, 0.05M Tris/HCl, pH 7.0, 0.0142 mM Tigecycline, 2mM MgCl2, 22days |