8QFW
Murine pyridoxal phosphatase in complex with 7,8-dihydroxyflavone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | I 2 3 |
Unit cell lengths | 167.011, 167.011, 167.011 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.640 - 2.000 |
R-factor | 0.1856 |
Rwork | 0.184 |
R-free | 0.20940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.531 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.190 | 3.667 |
Rmeas | 0.192 | 3.713 |
Rpim | 0.030 | 0.772 |
Number of reflections | 52033 | 8286 |
<I/σ(I)> | 20.66 | 1.21 |
Completeness [%] | 99.8 | 98.7 |
Redundancy | 41 | 40.66 |
CC(1/2) | 1.000 | 0.516 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 295 | Protein solution: 10 mg/ml protein in 50 mM triethanolamine, 250 mM NaCl and 5 mM MgCl2 at pH 7.4 with 3-fold molar excess of 7,8-DHF Reservoir solution 0.1 M phosphate-citrate buffer and 40% v/v PEG 300 |