1DNL
X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5'-PHOSPHATE OXIDASE COMPLEXED WITH FMN AT 1.8 ANGSTROM RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-01-01 |
Detector | APS |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 63.710, 63.710, 125.250 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 55.000 - 1.800 |
R-factor | 0.212 |
Rwork | 0.210 |
R-free | 0.23300 |
RMSD bond length | 0.010 |
RMSD bond angle | 23.300 * |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.075 | 0.357 |
Total number of observations | 262844 * | |
Number of reflections | 26980 | |
<I/σ(I)> | 7.6 | |
Completeness [%] | 96.3 | 74.2 |
Redundancy | 9.7 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 22 * | AMMONIUM FORMATE, HEPES OR MES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 4 (mg/ml) | |
2 | 1 | drop | ammonium formate | 0.65-0.9 (M) | |
3 | 1 | drop | 2-mercaptoethanol | 2.5 (mM) | |
4 | 1 | drop | potassium phosphate | 50 (mM) | |
5 | 1 | drop | HEPES/NaOH | 50 (mM) | |
6 | 1 | reservoir | ammonium formate | 1.3-1.8 (M) | |
7 | 1 | reservoir | HEPES/NaOH | 100 (mM) |