5MRP
Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (2)
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 | 2012-12-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 2 |
Unit cell lengths | 74.990, 74.990, 221.720 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.000 - 1.900 |
R-factor | 0.20544 |
Rwork | 0.204 |
R-free | 0.23461 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mro |
RMSD bond length | 0.009 |
RMSD bond angle | 1.410 |
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 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.040 | 0.400 |
Number of reflections | 19377 | |
<I/σ(I)> | 30.6 | 5.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 50 mM HEPES, 50 mM CdSO4, 800 mM KAc |