2XF2
PVC-AT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 291 |
Detector technology | IMAGE PLATE |
Collection date | 1992-11-15 |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 144.300, 144.300, 133.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.630 - 1.800 |
R-factor | 0.15035 |
Rwork | 0.149 |
R-free | 0.17314 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iuf |
RMSD bond length | 0.010 |
RMSD bond angle | 1.248 |
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] | 30.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.080 | 0.310 |
Number of reflections | 147702 | |
<I/σ(I)> | 20.9 | 4.4 |
Completeness [%] | 98.9 | 96.1 |
Redundancy | 5.5 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.2 | CRYSTALS OF THE ENZYME-INHIBITOR COMPLEX WERE GROWN BY VAPOUR DIFFUSION METHOD AGAINST PRECIPITANT SOLUTION CONTAINING OF 38% MPD AND 0,05 M SODIUM ACETATE BUFFER PH 5.2. DROPLETS OF 10-15 MKL CONTAINING 25-30 MG/ML PROTEIN SOLUTION IN THE SAME BUFFER WERE MIXED BEFORE CRYSTALLISATION WITH EQUAL VOLUME OF PRECIPITANT SOLUTION. |