6N10
Crystal structure of Arabidopsis thaliana mevalonate 5-diphosphate decarboxylase 1 complexed with (R)-MVAPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 106.630, 106.630, 166.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.168 - 2.300 |
R-factor | 0.1918 |
Rwork | 0.190 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d4j |
RMSD bond length | 0.014 |
RMSD bond angle | 1.457 |
Data reduction software | MOSFLM (7.1.0) |
Data scaling software | Aimless (0.2.7) |
Phasing software | MOLREP (11.2.08) |
Refinement software | PHENIX ((1.14_3260)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.315 | 2.350 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.121 | 0.536 |
Number of reflections | 42293 | 2744 |
<I/σ(I)> | 13.1 | |
Completeness [%] | 97.8 | 96 |
Redundancy | 10.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 0.1 M sodium citrate tribasic pH 5.6 0.2 M potassium sodium tartrate 2.0 M ammonium sulfate 5mM (R)-MVAPP |