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 |
