3NEW
p38-alpha complexed with Compound 10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.907, 74.477, 77.885 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.880 - 2.510 |
R-factor | 0.219 |
Rwork | 0.214 |
R-free | 0.30600 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 49.880 |
High resolution limit [Å] | 2.510 |
Number of reflections | 12654 |
Completeness [%] | 99.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 291 | 30 mg/mL protein in 25 mM Tris pH 8, 100 mM NaCl, 10% glycerol, and 10 mM DTT co-crystallized with 1 mM Compound 10 in 20% PEG 2000MME and 0.1 M Bis-Tris pH 6.5 at 18 C., VAPOR DIFFUSION, HANGING DROP, temperature 291K |