5N4G
human Fab fragment 12E1 against NHBA from Neisseria meningitidis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97932 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 64.880, 82.160, 100.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.990 - 2.750 |
R-factor | 0.19 |
Rwork | 0.186 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4imk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.290 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.710 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.122 | 0.806 |
Rpim | 0.091 | 0.605 |
Number of reflections | 14236 | |
<I/σ(I)> | 9.9 | 1.6 |
Completeness [%] | 98.6 | 97.5 |
Redundancy | 4.6 | 4.7 |
CC(1/2) | 0.993 | 0.609 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293.15 | 0.2 M potassium sodium tartrate 0.1 M sodium citrate 2 M ammonium sulphate |