7RST
The Crystal Structure of Recombinant Chloroperoxidase Expressed in Aspergillus niger
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9999 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 58.050, 150.920, 100.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.360 - 1.690 |
| R-factor | 0.1723 |
| Rwork | 0.170 |
| R-free | 0.20960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cpo |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.221 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.300 | 1.780 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.109 | 0.597 |
| Number of reflections | 45316 | 7220 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 90.5 | |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2M NaI, 20% polyethyleneglycol (PEG) 3350 |
