1TD7
Interactions of a specific non-steroidal anti-inflammatory drug (NSAID) with group I phospholipase A2 (PLA2): Crystal structure of the complex formed between PLA2 and niflumic acid at 2.5 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2004-04-28 |
Detector | MARRESEARCH |
Wavelength(s) | 0.80200 |
Spacegroup name | P 41 |
Unit cell lengths | 42.356, 42.356, 64.958 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.19481 |
Rwork | 0.193 |
R-free | 0.24203 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mf4 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.812 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 4004 | |
<I/σ(I)> | 20.6 | 7.5 |
Completeness [%] | 99.7 | 99.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 10mM Sodium Phosphate, 2mM CaCl2, 25% Ethanol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |