1GW2
RECOMBINANT HORSERADISH PEROXIDASE C1A THR171SER IN COMPLEX WITH FERULIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-05-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.192, 67.000, 117.073 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.950 - 2.150 |
| R-factor | 0.165 |
| Rwork | 0.165 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6atj |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.950 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.042 | 0.062 |
| Number of reflections | 127100 | |
| <I/σ(I)> | 25.8 | 23.9 |
| Completeness [%] | 92.0 | 90 |
| Redundancy | 2.7 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 16% PEG 4000, 0.2 M CALCIUM ACETATE,0.1 M CACODYLATE BUFFER PH 6.5 |
