5ZZJ
Crystal structure of a enzyme from Santalum album
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-29 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 122.512, 155.112, 164.245 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.600 |
R-factor | 0.1915 |
Rwork | 0.189 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ong |
RMSD bond length | 0.010 |
RMSD bond angle | 1.438 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.580 | 2.600 |
Rmerge | 0.065 | 0.034 | 0.581 |
Rmeas | 0.072 | 0.038 | 0.644 |
Rpim | 0.031 | 0.017 | 0.272 |
Total number of observations | 517044 | ||
Number of reflections | 96051 | 9894 | 9435 |
<I/σ(I)> | 14.5 | ||
Completeness [%] | 99.4 | 98.2 | 98.9 |
Redundancy | 5.4 | 5.3 | 5.3 |
CC(1/2) | 0.998 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Ammonium tartrate, glycerol |