4QDT
Crystal structure of Antigen 85C co-crystallized with iodoacetamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.777, 68.039, 76.279 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.070 - 1.498 |
R-factor | 0.1476 |
Rwork | 0.146 |
R-free | 0.17520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.075 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | EPMR |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.370 | |
<I/σ(I)> | 5.667 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 25% PEG 3350, 0.1M bis-tris, 0.2M lithium sulfate monohydrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |