3ZCG
Ascorbate peroxidase W41A-H42C mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 82.270, 82.270, 75.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.101 - 1.491 |
| R-factor | 0.1396 |
| Rwork | 0.138 |
| R-free | 0.17210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oaf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.028 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.650 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.070 | 0.440 |
| Number of reflections | 42706 | |
| <I/σ(I)> | 17.6 | 4.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.9 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | LISO4 2.5M, HEPES 100 MM PH 8.5, SITTING DROP |
