5ZOK
Crystal structure of human SMAD1-MAN1 complex.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2017-07-26 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 187.050, 187.050, 187.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.912 - 2.850 |
R-factor | 0.2169 |
Rwork | 0.215 |
R-free | 0.25490 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.618 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.12rc2_2821: ???) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.760 | 46.760 | 3.000 |
High resolution limit [Å] | 2.850 | 9.010 | 2.850 |
Rmerge | 0.097 | 0.022 | 0.791 |
Rmeas | 0.106 | 0.024 | 0.867 |
Rpim | 0.042 | 0.010 | 0.350 |
Total number of observations | 160567 | ||
Number of reflections | 26645 | 930 | 3775 |
<I/σ(I)> | 15.5 | ||
Completeness [%] | 99.6 | 95.9 | 98.9 |
Redundancy | 6 | 5.4 | 5.9 |
CC(1/2) | 0.998 | 0.999 | 0.735 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 293 | 0.1M MES, 10% PEG20,000 |