6BPS
Crystal structure of cysteine-bound 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 | 131.210, 131.210, 34.144 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.877 - 2.100 |
R-factor | 0.1705 |
Rwork | 0.167 |
R-free | 0.20310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ic1 |
Data reduction software | DENZO |
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 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.161 | 0.055 | 0.976 |
Rmeas | 0.170 | 0.058 | 1.054 |
Rpim | 0.054 | 0.018 | 0.385 |
Number of reflections | 20119 | 1064 | 1018 |
<I/σ(I)> | 5.4 | ||
Completeness [%] | 99.8 | 99.2 | 98.8 |
Redundancy | 9.4 | 10.2 | 6.9 |
CC(1/2) | 0.999 | 0.567 |
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 |