3K2M
Crystal Structure of Monobody HA4/Abl1 SH2 Domain Complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-10-24 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.625, 88.181, 131.081 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.000 - 1.750 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1OPK: 154-235 1FNF: loops omitted |
RMSD bond length | 0.017 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.810 |
High resolution limit [Å] | 1.751 | 1.751 |
Number of reflections | 38402 | |
<I/σ(I)> | 1.9 | |
Completeness [%] | 95.3 | 65 |
Redundancy | 6.1 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 30% PEG 4000, 0.2M sodium acetate trihydrate, 0.1M Tris hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |