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 |