Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-07-26 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.289, 41.280, 72.056 |
Unit cell angles | 90.00, 104.13, 90.00 |
Refinement procedure
Resolution | 25.346 - 1.491 |
R-factor | 0.1574 |
Rwork | 0.156 |
R-free | 0.17820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ks3 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.371 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.540 |
High resolution limit [Å] | 1.490 | 3.210 | 1.490 |
Rmerge | 0.070 | 0.060 | 0.261 |
Number of reflections | 38255 | ||
<I/σ(I)> | 20.4 | ||
Completeness [%] | 96.4 | 99.7 | 90.1 |
Redundancy | 5.4 | 5.4 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.6M Na-Citrate and 50 mM Tris-Cl at pH 7.8 used as precipitant solution. DMSO was used to dissolve the inhibitor, VAPOR DIFFUSION, HANGING DROP, temperature 298K |