3A2S
Crystal Structure of outer membrane protein PorB from Neisseria meningitidis in complex with sucrose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Collection date | 2009-01-20 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 63 |
| Unit cell lengths | 82.773, 82.773, 106.433 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.380 - 2.200 |
| R-factor | 0.21148 |
| Rwork | 0.209 |
| R-free | 0.25575 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3A2R |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.228 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 20889 | |
| <I/σ(I)> | 22 | 2.9 |
| Completeness [%] | 99.4 | 96.1 |
| Redundancy | 5.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 100mM MES, 50mM CsCl, 28-32% Jeffamine M-600, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
