1U4J
Crystal structure of a carbohydrate induced dimer of group I phospholipase A2 from Bungarus caeruleus at 2.1 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] | 180 |
| Detector technology | CCD |
| Collection date | 2004-05-06 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.98 |
| Spacegroup name | H 3 |
| Unit cell lengths | 80.360, 80.360, 99.440 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 14.260 - 2.180 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fe5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.600 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.300 | 2.320 |
| High resolution limit [Å] | 2.100 | 2.180 |
| Number of reflections | 12475 | |
| <I/σ(I)> | 6.4 | 2.1 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 281 | 50mM Tris. HCl, 2.8M NaCl, 1mM NaN3, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 281K |
