3BQH
Structure of the central domain (MsrA) of Neisseria meningitidis PilB (oxidized form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-05-13 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.89 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.500, 47.600, 66.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.300 - 1.950 |
| Rwork | 0.193 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bqe |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.069 | 0.358 |
| Number of reflections | 10452 | |
| <I/σ(I)> | 23.8 | 6.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.5 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch-under-oil | 4.6 | 293 | 1 volume of 30% PEG 4000, 0.2M Ammonium Sulfate,0.1M Na Acetate pH 4.6, mixed with 1 volume of 50mM TRIS HCl, 2mM EDTA pH 8, 10mg/mL protein priorly oxidized, microbatch-under-oil, temperature 293K |
