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 |