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 |
