4AQ2
resting state of homogentisate 1,2-dioxygenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 1 |
Unit cell lengths | 93.737, 93.901, 162.810 |
Unit cell angles | 87.46, 80.45, 68.33 |
Refinement procedure
Resolution | 33.936 - 1.950 |
R-factor | 0.1958 |
Rwork | 0.193 |
R-free | 0.25730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eyb |
RMSD bond length | 0.009 |
RMSD bond angle | 1.109 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.000 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.090 | 0.440 |
Number of reflections | 359608 | |
<I/σ(I)> | 10.8 | 2.38 |
Completeness [%] | 94.0 | 80 |
Redundancy | 2.9 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | VAPOUR DIFFUSION(1:1): 17 % PEG 3350, 0.02 M NAK PHOSPHATE, 0.1 M BIS-TRIS PROPANE PH 8.0, 1 MM TCEP 15 MG/ML PROTEIN |