1JAX
Structure of Coenzyme F420H2:NADP+ Oxidoreductase (FNO)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-07-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.004 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.640, 72.140, 70.400 |
Unit cell angles | 90.00, 90.12, 90.00 |
Refinement procedure
Resolution | 19.860 - 1.800 |
R-factor | 0.185 |
Rwork | 0.185 |
R-free | 0.22100 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Model from hexagonal crystals (P6(2)22) of FNO solved by MAD phasing but not refined |
RMSD bond length | 0.010 |
RMSD bond angle | 1.480 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.820 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.057 | 0.710 * |
Number of reflections | 35340 * | |
<I/σ(I)> | 17.2 | 11 |
Completeness [%] | 98.5 * | 99.2 * |
Redundancy | 3.7 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 4 * | 30% MPD, 0.1 M Na ac, 0.05 M MgCl2, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 12 (mg/ml) | |
2 | 1 | reservoir | MPD | 30 (%) | |
3 | 1 | reservoir | acetate/NaOH | 0.1 (M) | pH4.6 |
4 | 1 | reservoir | 0.4 (M) |