1WXD
Crystal Structure of Shikimate 5-Dehydrogenase (AroE) from Thermus Thermophilus HB8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-12-28 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.027, 71.606, 113.125 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.100 - 2.100 |
Rwork | 0.204 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nvt |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
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] | 36.100 | 2.230 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.082 | 0.500 |
Number of reflections | 29082 | |
<I/σ(I)> | 10.2 | 3.7 |
Completeness [%] | 96.6 | 89.9 |
Redundancy | 5.4 | 4.7 |
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 |