2EV9
Crystal Structure of Shikimate 5-Dehydrogenase (AroE) from Thermus Thermophilus HB8 in complex with NADP(H) and shikimate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-22 |
Detector | MARRESEARCH |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.948, 71.558, 113.063 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.070 - 1.900 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.23600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2cy0 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.054 | 0.468 |
Number of reflections | 38064 | |
<I/σ(I)> | 16.8 | 2.15 |
Completeness [%] | 94.3 | 97.8 |
Redundancy | 4.8 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 4.6 | 295 | Ammonium sulfate, Sodium Acetate trihydrate, PEG4000, pH 4.6, microbatch, temperature 295K |