5MRM
Arabidopsis thaliana IspD in complex with Isoxazole (4)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 2 |
Unit cell lengths | 74.030, 74.030, 223.910 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.000 - 1.800 |
R-factor | 0.19728 |
Rwork | 0.195 |
R-free | 0.22949 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nak |
RMSD bond length | 0.008 |
RMSD bond angle | 1.327 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.045 | 0.393 |
Number of reflections | 22217 | |
<I/σ(I)> | 17.5 | 3.9 |
Completeness [%] | 99.2 | 99.7 |
Redundancy | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 50 mM HEPES, 50 mM CdSO4, 800 mM KAc |