4HSX
Structure of the L100F mutant of dehaloperoxidase-hemoglobin A from Amphitrite ornata with 4-bromophenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-04-11 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.241, 67.441, 69.338 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.340 - 1.120 |
| R-factor | 0.1268 |
| Rwork | 0.126 |
| R-free | 0.15030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.030 |
| RMSD bond angle | 3.523 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.140 |
| High resolution limit [Å] | 1.120 | 3.040 | 1.120 |
| Rmerge | 0.079 | 0.062 | 0.242 |
| <I/σ(I)> | 9.2 | ||
| Completeness [%] | 99.9 | 99.2 | 98.7 |
| Redundancy | 3.7 | 3.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 32% PEG 4000, 0.2M ammonium sulfate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
