5ZOJ
Crystal structure of human SMAD2-MAN1 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2015-05-29 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1 |
Spacegroup name | P 65 |
Unit cell lengths | 176.813, 176.813, 73.854 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.469 - 2.794 |
R-factor | 0.2433 |
Rwork | 0.242 |
R-free | 0.26920 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.574 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.29) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.12rc2_2821: ???) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.550 | 45.550 | 2.940 |
High resolution limit [Å] | 2.790 | 8.830 | 2.790 |
Rmerge | 0.148 | 0.071 | 1.088 |
Rmeas | 0.162 | 0.079 | 1.257 |
Rpim | 0.065 | 0.032 | 0.615 |
Total number of observations | 171576 | ||
Number of reflections | 31950 | 1040 | 4471 |
<I/σ(I)> | 8.2 | ||
Completeness [%] | 96.9 | 94.4 | 92.8 |
Redundancy | 5.4 | 5.4 | 3.6 |
CC(1/2) | 0.994 | 0.994 | 0.531 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 277 | 0.1M acetate, 7.5% PEG4000, 10% 2-propanol |