4A2M
Structure of the periplasmic domain of the heparin and heparan sulphate sensing hybrid two component system BT4663 in apo and ligand bound forms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 111.120, 80.830, 228.940 |
| Unit cell angles | 90.00, 93.96, 90.00 |
Refinement procedure
| Resolution | 55.730 - 3.400 |
| R-factor | 0.26875 |
| Rwork | 0.268 |
| R-free | 0.28606 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | APO FORM SEE PAPER |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.772 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.970 | 3.580 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.150 | 0.450 |
| Number of reflections | 55102 | |
| <I/σ(I)> | 6.5 | 2.6 |
| Completeness [%] | 97.9 | 95.8 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M BIS TRIS PROPANE PH 7.5, 25% PEG 1500. |
