6DDM
Crystal Structure Analysis of the Epitope of an Anti-MICA Antibody
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 | 2015-10-14 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.690, 50.177, 88.633 |
Unit cell angles | 90.00, 90.85, 90.00 |
Refinement procedure
Resolution | 35.000 - 1.300 |
R-factor | 0.1892 |
Rwork | 0.188 |
R-free | 0.20540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f3d 4m1g 1hyr 1nz8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.302 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.000 | 35.000 | 1.320 |
High resolution limit [Å] | 1.300 | 3.530 | 1.300 |
Rmerge | 0.059 | 0.042 | 0.560 |
Rmeas | 0.070 | 0.050 | 0.680 |
Rpim | 0.037 | 0.026 | 0.380 |
Number of reflections | 126363 | 6405 | 6100 |
<I/σ(I)> | 8.5 | ||
Completeness [%] | 99.6 | 97.8 | 96.4 |
Redundancy | 3.5 | 3.6 | 2.9 |
CC(1/2) | 0.995 | 0.793 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 0.1 M sodium acetate, pH 4.6, 25% PEG 4000 |