1BGN
P-HYDROXYBENZOATE HYDROXYLASE (PHBH) MUTANT WITH CYS 116 REPLACED BY SER (C116S) AND ARG 269 REPLACED BY THR (R269T), IN COMPLEX WITH FAD AND 4-HYDROXYBENZOIC ACID
Experimental procedure
Source type | ROTATING ANODE |
Source details | MACSCIENCE M18X |
Temperature [K] | 280 |
Detector technology | AREA DETECTOR |
Collection date | 1995-12 |
Detector | SIEMENS |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 72.000, 146.300, 88.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.000 |
R-factor | 0.177 |
Rwork | 0.177 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pbe |
RMSD bond length | 0.006 |
RMSD bond angle | 23.800 * |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 8.000 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.045 * |
Number of reflections | 26122 |
Completeness [%] | 92.2 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 | 4 * | 39% AMMONIUMSULFATE, 100 MM SODIUM PHOSPHATE, 0.04 MM FAD, 0.15 MM EDTA, 30 MM SODIUM SULFITE, 1 MM P-HYDROXYBENZOATE, pH 7.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 10-15 (mg/ml) | |
2 | 1 | drop | potassium phosphate | 100 (mM) | |
3 | 1 | reservoir | ammonium sulfate | 40 (%sat) | |
4 | 1 | reservoir | FAD | 0.04 (mM) | |
5 | 1 | reservoir | EDTA | 0.15 (mM) | |
6 | 1 | reservoir | POHB | 2 (mM) | |
7 | 1 | reservoir | sodium sulfite | 30 (mM) | |
8 | 1 | reservoir | potassium phosphate | 100 (mM) |