2W8B
Crystal structure of processed TolB in complex with Pal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 74.740, 89.240, 90.900 |
| Unit cell angles | 86.81, 89.81, 68.62 |
Refinement procedure
| Resolution | 45.360 - 1.860 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hqs |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.871 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.740 | 1.960 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.110 | 0.660 |
| Number of reflections | 176410 | |
| <I/σ(I)> | 7.2 | 1.2 |
| Completeness [%] | 96.2 | 94.9 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.1M SODIUM ACETATE PH 4.6, 17% PEG4000, 0.2M AMMONIUM SULPHATE, 20MG/ML |
