4XJJ
Extracellular domain of type II Transforming Growth Factor Beta receptor in complex with 2-(2-Hydroxyethyl)NDSB-201
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 | 2013-03-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.170, 40.373, 76.341 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.737 - 1.400 |
| R-factor | 0.1545 |
| Rwork | 0.153 |
| R-free | 0.18530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m9z |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.091 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.400 | 30.400 | 1.450 |
| High resolution limit [Å] | 1.400 | 3.020 | 1.400 |
| Rmerge | 0.062 | 0.034 | 0.519 |
| Rmeas | 0.064 | 0.035 | 0.541 |
| Rpim | 0.017 | 0.009 | 0.148 |
| Total number of observations | 305341 | ||
| Number of reflections | 22047 | ||
| <I/σ(I)> | 7.6 | ||
| Completeness [%] | 99.8 | 100 | 97.6 |
| Redundancy | 13.8 | 13.6 | 11.8 |
| CC(1/2) | 1.000 | 0.954 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 100 mM sodium citrate, 30% PEG 2000 |
