4FQ8
Crystal Structure of Shikimate Dehydrogenase (aroE) Y210A Mutant from Helicobacter pylori in Complex with Shikimate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2012-06-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.244, 88.335, 118.338 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.070 |
R-factor | 0.2109 |
Rwork | 0.209 |
R-free | 0.25070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3phg |
RMSD bond length | 0.019 |
RMSD bond angle | 1.450 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.130 |
High resolution limit [Å] | 2.060 | 4.430 | 2.060 |
Rmerge | 0.075 | 0.040 | 0.383 |
Number of reflections | 30207 | ||
<I/σ(I)> | 13.3 | 33.6 | 5.2 |
Completeness [%] | 99.7 | 99 | 100 |
Redundancy | 6.4 | 6.1 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M sodium acetate, 0.1M Tris, 29% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |