6JJS
Crystal structure of an enzyme from Penicillium herquei in condition2
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 62 2 2 |
Unit cell lengths | 74.617, 74.617, 108.926 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.440 - 1.620 |
R-factor | 0.18627 |
Rwork | 0.185 |
R-free | 0.20229 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c5o |
RMSD bond length | 0.010 |
RMSD bond angle | 1.499 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
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 | 1.680 |
High resolution limit [Å] | 1.620 | 3.491 | 1.620 |
Rmerge | 0.048 | 0.034 | 0.463 |
Rmeas | 0.050 | 0.035 | 0.474 |
Rpim | 0.011 | 0.008 | 0.103 |
Number of reflections | 23321 | 2424 | 2286 |
<I/σ(I)> | 19.7 | ||
Completeness [%] | 99.2 | 94 | 100 |
Redundancy | 20 | 18.2 | 20.8 |
CC(1/2) | 0.999 | 0.991 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG4000, 0.1 M Imidazole pH 8.0 |