1CC6
PHE161 AND ARG166 VARIANTS OF P-HYDROXYBENZOATE HYDROXYLASE. IMPLICATIONS FOR NADPH RECOGNITION AND STRUCTURAL STABILITY.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1996-08-15 |
Detector | SIEMENS |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.200, 146.800, 88.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.200 |
R-factor | 0.185 * |
Rwork | 0.185 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pbe |
RMSD bond length | 0.009 |
RMSD bond angle | 23.800 * |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 8.000 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.055 * |
Number of reflections | 22860 |
<I/σ(I)> | 12 |
Completeness [%] | 92.5 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 | 4 * | Eppink, M.H.M., (1995) Eur. J. Biochem., 231, 157. * |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | (NH4)2SO4 | ||
2 | 1 | 1 | NA3PO4 | ||
3 | 1 | 1 | NA2SO3 | ||
4 | 1 | 1 | EDTA | ||
5 | 1 | 1 | P-HYDROXYBENZOATE |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 10 (mg/ml) | |
2 | 1 | drop | potassium phosphate | 100 (mM) | |
3 | 1 | reservoir | ammonium sulfate | 39 (%sat) | |
4 | 1 | reservoir | FAD | 0.04 (mM) | |
5 | 1 | reservoir | EDTA | 0.15 (mM) | |
6 | 1 | reservoir | 4-hydroxybenzoate | 1 (mM) | |
7 | 1 | reservoir | sodium sulfite | 60 (mM) | |
8 | 1 | reservoir | potassium phosphate | 100 (mM) |