1P6E
STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2000-04-24 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 89.795, 89.795, 74.206 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.167 |
Rwork | 0.163 |
R-free | 0.20200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | PDB ID 1AH7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.321 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.092 | 0.302 |
Number of reflections | 13590 | |
<I/σ(I)> | 12.8 | |
Completeness [%] | 98.4 | 99.7 |
Redundancy | 3.1 | 3.1 |
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) |