3GUZ
Structural and substrate-binding studies of pantothenate synthenate (PS)provide insights into homotropic inhibition by pantoate in PS's
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-02-10 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 61.890, 77.500, 78.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.560 - 1.670 |
R-factor | 0.19143 |
Rwork | 0.188 |
R-free | 0.24575 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.024 |
RMSD bond angle | 2.029 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.780 | 1.760 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.051 | 0.464 |
Number of reflections | 43231 | |
<I/σ(I)> | 12.8 | 2 |
Completeness [%] | 96.2 | 87.5 |
Redundancy | 2.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 10% PEG 4000, 100mM NaCl, 100mM acetate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |