1SZM
DUAL BINDING MODE OF BISINDOLYLMALEIMIDE 2 TO PROTEIN KINASE A (PKA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-11 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0500 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.065, 89.005, 116.388 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.234 |
| Rwork | 0.231 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1stc |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.546 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CCP4 ((MOLREP)) |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.700 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 30100 | |
| <I/σ(I)> | 5.2 | 1 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 278 | LiCl, MesBisTris, methanol, MEGA-8, PKI(5-24), pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
