3BQE
Structure of the central domain (MsrA) of Neisseria meningitidis PilB (reduced form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-02-10 |
Detector | MAC Science DIP-2030 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.488, 49.183, 66.153 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.540 - 2.000 |
Rwork | 0.175 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nwa |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.056 | 0.269 |
Number of reflections | 9614 | |
<I/σ(I)> | 14.3 | 3.3 |
Completeness [%] | 95.7 | 90.2 |
Redundancy | 2.04 | 1.98 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch-under-oil | 7.5 | 293 | 1 volume of 20% PEG 8000, 0.1M Na HEPES pH 7.5, mixed with 1 volume of 50mM TRIS HCl, 2mM EDTA pH 8, 18mg/mL protein, microbatch-under-oil, temperature 293K |