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 |