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 |