6EUP
Crystal structure of Neisseria meningitidis NadA variant 3 double mutant A33I-I38L
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-08 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.966 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 68.919, 39.750, 255.630 |
Unit cell angles | 90.00, 95.13, 90.00 |
Refinement procedure
Resolution | 63.650 - 2.650 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.650 | 2.790 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.080 | 0.401 |
Rmeas | 0.098 | 0.494 |
Number of reflections | 18251 | 2415 |
<I/σ(I)> | 8 | 2.2 |
Completeness [%] | 89.1 | 84.4 |
Redundancy | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium phosphate citrate pH 3.9, 5% (w/v) PEG 1K, 33.6-45.9% (v/v) MPD |