2QNK
Crystal structure of human 3-hydroxyanthranilate 3,4-dioxygenase
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97943, 0.96420 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.498, 78.227, 85.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.920 - 1.600 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.17600 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.487 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.400 | 37.400 | 1.640 |
High resolution limit [Å] | 1.600 | 3.950 | 1.600 |
Rmerge | 0.074 | 0.048 | 0.377 |
Number of reflections | 45122 | ||
<I/σ(I)> | 15.276 | 4.1037 | |
Completeness [%] | 99.7 | 99.6 | 96.2 |
Redundancy | 13.7 | 13.9 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | Protein solution (10 mg/ml Protein, 0.050 M Sodium chloride, 0.0031 M Sodium azide, 0.0003 M TCEP, 0.005 M Bis-Tris pH 7.0) mixed in a 1:1 ratio with the well solution (50% v/v 2-Methyl-2,4-pentanediol (MPD), 0.1 M PIPES pH 6.5) and cryoprotected with well solution, VAPOR DIFFUSION, HANGING DROP, temperature 277K |