3BQG
Structure of the central domain (MsrA) of Neisseria meningitidis PilB (sulfenic acid form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-24 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.560, 54.610, 64.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.760 - 2.000 |
| Rwork | 0.195 |
| R-free | 0.24000 |
| 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] | 45.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.082 | 0.366 |
| Number of reflections | 11186 | |
| <I/σ(I)> | 15.8 | 5.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch-under-oil | 8 | 293 | 1 volume of 30% PEG 1500, mixed with 1 volume of 50mM TRIS HCl, 2mM EDTA pH 8, 31mg/mL protein, crystal soaking with 300mM dimethyl-sulfoxide, microbatch-under-oil, temperature 293K |
