5XTU
Crystal Structure of GDSL Esterase of Photobacterium sp. J15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-22 |
Detector | RIGAKU |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.182, 66.461, 105.468 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.230 - 1.380 |
R-factor | 0.159 |
Rwork | 0.158 |
R-free | 0.17900 |
Structure solution method | SAD |
RMSD bond length | 0.029 |
RMSD bond angle | 2.524 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.230 | 1.430 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.070 | 0.193 |
Rpim | 0.070 | |
Number of reflections | 70491 | |
<I/σ(I)> | 25 | 5.7 |
Completeness [%] | 98.2 | 95.3 |
Redundancy | 2 | 1.98 |
CC(1/2) | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.10 M ammonium sulphate, 0.15 M sodium cacodylate trihydrate pH 6.5, and 20% PEG 8000 |