1F0I
THE FIRST CRYSTAL STRUCTURE OF A PHOSPHOLIPASE D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-09-15 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.280, 57.420, 68.700 |
Unit cell angles | 90.00, 93.17, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.400 |
R-factor | 0.1297 * |
Rwork | 0.130 |
R-free | 0.18230 * |
RMSD bond length | 0.014 * |
RMSD bond angle | 1.959 * |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | MLPHARE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.641 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.058 | 0.204 |
Total number of observations | 261275 * | |
Number of reflections | 86896 | |
<I/σ(I)> | 7.4 | |
Completeness [%] | 99.2 | 99.2 |
Redundancy | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 298 | 0.2 M NH4Ac, 0.1 M Citrate/Phosphate buffer, 27.5% PEG 4000, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
2 | 1 | reservoir | citrate/phophosphate | 0.1 (M) | |
3 | 1 | reservoir | PEG4000 | 27.5 (%) |