1BW9
PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND PHENYLPYRUVATE
Experimental procedure
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-02 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.300, 110.200, 113.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.500 |
Rwork | 0.195 |
Structure solution method | MIR |
RMSD bond length | 0.013 |
RMSD bond angle | 14.825 * |
Data reduction software | SAINT (2000) |
Data scaling software | XCALIBRE |
Refinement software | TNT (5E) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.570 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.080 | 0.236 * |
Total number of observations | 461544 * | |
Number of reflections | 121716 | 12631 * |
<I/σ(I)> | 12.3 | 2.2 |
Completeness [%] | 94.0 | 77 |
Redundancy | 3.8 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.7 | 4 * | used to seeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 7.5 (mg/ml) | |
2 | 1 | drop | NAD+ | 10 (mM) | |
3 | 1 | drop | phenylpyruvate | 10 (mM) | |
4 | 1 | drop | sodium potassium phosphate | 2.6 (M) | |
5 | 1 | drop | CHES | 100 (mM) | |
6 | 1 | drop | 2-propanol | 4 (%(v/v)) |