4WWQ
Apo structure of the Grb7 SH2 domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 63 |
| Unit cell lengths | 84.000, 84.000, 75.950 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.495 - 1.800 |
| R-factor | 0.1705 |
| Rwork | 0.169 |
| R-free | 0.19820 |
| Starting model (for MR) | 2qms |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.192 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.495 | 27.495 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.051 | 0.549 | |
| Rmeas | 0.111 | ||
| Rpim | 0.033 | 0.016 | 0.171 |
| Total number of observations | 318795 | 9797 | 46431 |
| Number of reflections | 28306 | ||
| <I/σ(I)> | 16.7 | 33.4 | 4.9 |
| Completeness [%] | 100.0 | 99.2 | 100 |
| Redundancy | 11.3 | 10.5 | 11.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.1 M sodium malonate, 0.1 M HEPES pH 7.0, 0.5%(v/v) Jeffamine ED-2001 |
