1D7L
STRUCTURE-FUNCTION CORRELATIONS OF THE REACTION OF REDUCED NICOTINAMIDE ANALOGS WITH P-HYDROXYBENZOATE HYDROXYLASE SUBSTITUTED WITH A SERIES OF 8-SUBSTITUTED FLAVINS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1996-10-10 |
Detector | SDMS |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 70.802, 145.477, 86.966 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.200 |
R-factor | 0.184 |
Rwork | 0.184 |
R-free | 0.23500 |
RMSD bond length | 0.007 |
RMSD bond angle | 22.700 * |
Data reduction software | SDMS |
Data scaling software | SDMS |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.340 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.129 | 0.279 |
Number of reflections | 22993 | |
<I/σ(I)> | 6.268 | |
Completeness [%] | 99.0 | 96.9 |
Redundancy | 7 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | interface diffusion * | 7.4 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | p-OHB | 2 (mM) | |
2 | 1 | 1 | 8-N(CH3)2-FAD | 0.040 (mM) |