2HQS
Crystal structure of TolB/Pal complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2006-03-18 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 1 |
Unit cell lengths | 74.847, 89.049, 91.051 |
Unit cell angles | 87.15, 89.62, 68.81 |
Refinement procedure
Resolution | 38.320 - 1.500 |
R-factor | 0.18201 |
Rwork | 0.180 |
R-free | 0.21267 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.235 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.680 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.044 | 0.266 |
Number of reflections | 334414 | |
<I/σ(I)> | 8.7 | 1.9 |
Completeness [%] | 95.4 | 94.1 |
Redundancy | 2 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | MME PEG 2000, ammonium sulfate, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |