3OSH
Crystal Structure of The Complex of Group 1 Phospholipase A2 With Atropin At 1.5 A Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2010-05-13 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | P 41 |
Unit cell lengths | 42.377, 42.377, 65.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.370 - 1.500 |
R-factor | 0.20078 |
Rwork | 0.199 |
R-free | 0.22945 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nju |
RMSD bond length | 0.015 |
RMSD bond angle | 2.174 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.400 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 18066 | |
<I/σ(I)> | 73.6 | 2.4 |
Completeness [%] | 97.0 | 91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 10MM sodium phosphate buffer, 2M calcium chloride, 35% ethanol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |