4XAK
Crystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-08-23 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.795, 146.879, 200.508 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.449 - 2.450 |
R-factor | 0.2008 |
Rwork | 0.198 |
R-free | 0.24910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kqz |
RMSD bond length | 0.002 |
RMSD bond angle | 0.624 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1702)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
Rmerge | 0.114 | 0.054 | 0.475 |
Rmeas | 0.129 | 0.061 | 0.555 |
Rpim | 0.060 | 0.029 | 0.278 |
Total number of observations | 181576 | ||
Number of reflections | 48854 | ||
<I/σ(I)> | 6.3 | 1.3 | |
Completeness [%] | 91.5 | 95.2 | 52.6 |
Redundancy | 3.7 | 3.8 | 2.5 |
CC(1/2) | 0.995 | 0.798 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 2000MME, 100 mM HEPES, pH7.5 |