5N4J
human Fab fragment 10C3 against NHBA from Neisseria meningitidis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979788 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.910, 79.830, 82.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.190 - 1.503 |
R-factor | 0.1805 |
Rwork | 0.179 |
R-free | 0.21150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h8w |
RMSD bond length | 0.010 |
RMSD bond angle | 1.272 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.190 | 1.590 |
High resolution limit [Å] | 1.503 | 1.500 |
Rmerge | 0.051 | 1.130 |
Rmeas | 0.059 | 1.160 |
Rpim | 0.031 | |
Number of reflections | 73404 | |
<I/σ(I)> | 14.88 | 1.35 |
Completeness [%] | 99.0 | 97.7 |
Redundancy | 3.6 | 6.3 |
CC(1/2) | 0.999 | 0.521 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.17 M ammonium sulfate, 15% v/v glycerol, 25.5% w/v PEG 4000 |