6JJT
Crystal structure of an enzyme from Penicillium herquei in condition1
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 | 2018-04-26 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.574, 55.104, 70.972 |
Unit cell angles | 90.00, 98.88, 90.00 |
Refinement procedure
Resolution | 24.500 - 1.330 |
R-factor | 0.1864 |
Rwork | 0.186 |
R-free | 0.21491 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c5o |
RMSD bond length | 0.012 |
RMSD bond angle | 1.850 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.380 |
High resolution limit [Å] | 1.330 | 2.860 | 1.330 |
Rmerge | 0.072 | 0.055 | 0.414 |
Rmeas | 0.077 | 0.059 | 0.453 |
Rpim | 0.026 | 0.020 | 0.182 |
Total number of observations | 960923 | ||
Number of reflections | 117386 | 12346 | 10617 |
<I/σ(I)> | 7.3 | ||
Completeness [%] | 96.4 | 99.4 | 87.5 |
Redundancy | 8.2 | 8.3 | 5.9 |
CC(1/2) | 0.997 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 33% PEG4000, 0.1 M tri-sodium citrate pH 5.6, 2% iso-propanol |