1A8Q
BROMOPEROXIDASE A1
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 283 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 63 |
| Unit cell lengths | 80.770, 80.770, 91.870 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 70.000 - 1.750 |
| R-factor | 0.158 |
| Rwork | 0.169 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bro |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.027 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.000 | 1.830 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.065 | 0.147 |
| Number of reflections | 31158 | |
| <I/σ(I)> | 17.8 | 10.4 |
| Completeness [%] | 90.8 | 90.6 |
| Redundancy | 2.8 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8 | 25 * | 2.0 M AMMONIUM SULFATE 50MM TRIS/HCL PH 8.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 2.0 (M) | |
| 2 | 1 | reservoir | Tris-HCl | 50 (mM) |
