6BPT
Crystal structure of ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-13 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97919 |
Spacegroup name | P 65 |
Unit cell lengths | 131.783, 131.783, 34.316 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.042 - 2.402 |
R-factor | 0.1607 |
Rwork | 0.156 |
R-free | 0.20180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ic1 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.217 | 0.075 | 0.926 |
Rmeas | 0.228 | 0.079 | 0.981 |
Rpim | 0.071 | 0.025 | 0.316 |
Number of reflections | 13429 | 730 | 631 |
<I/σ(I)> | 4.1 | ||
Completeness [%] | 98.1 | 98 | 92.5 |
Redundancy | 10 | 10.3 | 8.7 |
CC(1/2) | 0.998 | 0.687 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.1 M MES, 2 M ammonium sulfate, 2% PEG400 |