7ADX
SFX structure of dehaloperoxidase B in the oxyferrous form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL2 |
| Synchrotron site | SACLA |
| Beamline | BL2 |
| Temperature [K] | 301 |
| Detector technology | CCD |
| Collection date | 2018-06-11 |
| Detector | MPCCD |
| Wavelength(s) | 1.13 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.310, 68.100, 68.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.630 - 1.850 |
| R-factor | 0.1665 |
| Rwork | 0.165 |
| R-free | 0.19120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ixf |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.625 |
| Data reduction software | CrystFEL (0.6.3) |
| Data scaling software | CrystFEL (0.6.3) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.240 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 25099 | 1213 |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 322 | 224 |
| CC(1/2) | 0.980 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6 | 277 | DHP in 20 mM MES pH 6 mixed with 40% PEG 4000, 200 mM ammonium sulfate in 1 to 4 ratio with total volume of 250 to 500 microlitres |
