3MIA
Crystal structure of HIV-1 Tat complexed with ATP-bound human P-TEFb
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 134.286, 134.286, 97.185 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.610 - 3.000 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.28700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3mi9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.062 | 0.479 |
| Number of reflections | 19980 | |
| <I/σ(I)> | 30.9 | 3.7 |
| Completeness [%] | 96.9 | 99 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 50 mM HEPES buffer (pH 7.5), 4.25-5% PEG 20,000, 1 mM TCEP, and 20 mM glycyl-glycyl-glycine. The Tat P-TEFb ATP crystals were obtained by soaking the Tat P-TEFb crystals in crystallization solution with 1mM ATP analog AMPPNP and 5 mM magnesium chloride for 40 min., VAPOR DIFFUSION, SITTING DROP, temperature 295K |
