3FPV
Crystal Structure of HbpS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-02 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 152.522, 152.522, 152.522 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.860 - 2.200 |
| R-factor | 0.20461 |
| Rwork | 0.201 |
| R-free | 0.26429 |
| Structure solution method | SAD |
| Starting model (for MR) | Br Phases |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.358 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.400 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.073 | 0.321 |
| Number of reflections | 59161 | |
| <I/σ(I)> | 12.63 | 3.56 |
| Completeness [%] | 98.5 | 94.9 |
| Redundancy | 4.18 | 2.92 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | 40% w/v PEG 400, 5% w/v PEG 3000, 100mM MES pH 5.8; Protein concentration of 14 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
