1QXX
CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF TONB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-11-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.934000 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 61.580, 61.580, 121.950 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.440 - 2.700 |
Rwork | 0.267 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ihr |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.440 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.049 | 0.463 |
Number of reflections | 4052 | |
<I/σ(I)> | 19.32 | 3.56 |
Completeness [%] | 97.5 | 97.6 |
Redundancy | 9.68 | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 301 | Sodium formiate, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 301K |