1P6D
STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH (3S)-3,4,DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2000-05-18 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 89.933, 89.933, 73.936 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.177 |
Rwork | 0.174 |
R-free | 0.23030 * |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ah7 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.268 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.074 | 0.181 |
Number of reflections | 20598 | |
<I/σ(I)> | 23.7 | |
Completeness [%] | 99.3 | 98.3 |
Redundancy | 5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6 | 298 | AMMOUNIUM SULPHATE, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 3.75 (mg/ml) | |
2 | 1 | drop | ammonium sulfate | 24.6 (%sat) | |
3 | 1 | reservoir | ammonium sulfate | 40 (%sat) |