7R9L
Crystal structure of HPK1 in complex with compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2015-02-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.890, 96.790, 76.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.257 - 2.332 |
| R-factor | 0.23 |
| Rwork | 0.227 |
| R-free | 0.28420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6cqe |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.635 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12-2829_final) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 66.257 | 48.390 | 3.050 |
| High resolution limit [Å] | 2.330 | 9.140 | 2.890 |
| Rmerge | 0.107 | 0.059 | 0.397 |
| Rmeas | 0.120 | 0.066 | 0.447 |
| Rpim | 0.054 | 0.029 | 0.199 |
| Total number of observations | 1028 | 4397 | |
| Number of reflections | 8574 | 242 | 1027 |
| <I/σ(I)> | 8.2 | 16.1 | 2.6 |
| Completeness [%] | 92.0 | 90.1 | 93 |
| Redundancy | 4.2 | 4.2 | 4.3 |
| CC(1/2) | 0.992 | 0.995 | 0.931 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.1 M Tris-HCl, pH 8.5, 0.25 M sodium tartrate and 12% PEG 8000 |
