7ACP
Serial synchrotron structure of dehaloperoxidase B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2018-06-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.180, 66.995, 68.932 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.466 - 1.450 |
| R-factor | 0.1693 |
| Rwork | 0.167 |
| R-free | 0.20890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ixf |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.1.15) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.900 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 52472 | 2504 |
| <I/σ(I)> | 3.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 104 | |
| CC(1/2) | 0.980 | 0.977 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6 | 277 | Batch microcrystallization was used, mixing 30 mg/ml DHP in 20 mM MES pH 6.0 with 40%(w/v) PEG 4000, 200 mM ammonium sulfate in a 1 to 4 ratio in a total volume of 250 to 500 ml. |
