5NHX
Periplasmic domain of Outer Membrane Protein A from Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979470 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 73.650, 73.650, 61.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.781 - 1.950 |
R-factor | 0.1782 |
Rwork | 0.176 |
R-free | 0.19390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4erh |
RMSD bond length | 0.006 |
RMSD bond angle | 0.908 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.781 | 39.781 | 2.000 |
High resolution limit [Å] | 1.950 | 8.730 | 1.950 |
Rmerge | 0.061 | 0.024 | 0.587 |
Rmeas | 0.066 | 0.026 | 0.629 |
Number of reflections | 12873 | 181 | 922 |
<I/σ(I)> | 21.71 | 51.05 | 3.96 |
Completeness [%] | 99.8 | 97.8 | 98.6 |
Redundancy | 7.714 | 5.967 | 7.782 |
CC(1/2) | 0.999 | 1.000 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 285 | 20% PEG6000 Citric acid |