6BMT
Crystal Structure of a Recombinant form of Human Myeloperoxidase Bound to an Inhibitor from Staphylococcus delphini
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-03-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.626, 90.674, 125.661 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.337 - 2.403 |
R-factor | 0.187 |
Rwork | 0.185 |
R-free | 0.21810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uzu |
RMSD bond length | 0.015 |
RMSD bond angle | 1.480 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.162 | 0.091 | 1.077 |
Rmeas | 0.168 | 0.095 | 1.147 |
Rpim | 0.045 | 0.026 | 0.382 |
Number of reflections | 38189 | 4062 | 3675 |
<I/σ(I)> | 15.54 | ||
Completeness [%] | 99.7 | 100 | 97.2 |
Redundancy | 13.5 | 14 | 7.7 |
CC(1/2) | 0.990 | 0.698 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M acetate, pH 4.5-4.6, 25% w/v PEG3350 |