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 |
