2O2L
Crystal structure of human heat-labile enterotoxin in complex with a blood group A antigen analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-5 |
| Synchrotron site | MAX II |
| Beamline | I911-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.907 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 117.799, 166.965, 57.478 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.530 |
| R-factor | 0.18351 |
| Rwork | 0.181 |
| R-free | 0.23703 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1djr |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.450 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.200 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.530 |
| Rmerge | 0.033 | 0.080 |
| Number of reflections | 38366 | |
| <I/σ(I)> | 24.9 | 12.4 |
| Completeness [%] | 99.0 | 94.2 |
| Redundancy | 6.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
