1FXF
CARBOXYLIC ESTER HYDROLASE COMPLEX (DIMERIC PLA2 + MJ33 INHIBITOR + PHOSPHATE IONS)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2000-06-05 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 31 |
Unit cell lengths | 65.039, 65.039, 62.752 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 8.000 - 1.850 |
R-factor | 0.161 * |
Rwork | 0.161 |
R-free | 0.26800 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.027 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.059 | 0.417 |
Total number of observations | 215840 * | |
Number of reflections | 25141 | |
<I/σ(I)> | 23 | |
Completeness [%] | 99.1 | 98.7 |
Redundancy | 8.6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 25 * | 25% PEG3500, 0.2 M SODIUM PHOSPHATE, 0.1 M SODIUM ACETATE BUFFER, PH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 15 (mg/ml) | |
2 | 1 | drop | MJ33 | 3 (mM) | |
3 | 1 | drop | 10 (mM) | ||
4 | 1 | drop | PEG3350 | 25 (%) | |
5 | 1 | drop | sodium acetate | 0.1 (M) | |
6 | 1 | drop | potassium phosphate | 0.2 (M) |