5Z37
Crystal Structure of Abrin A chain (Recombinant) at 1.3 Angstroms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.660, 73.820, 82.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.198 - 1.300 |
| R-factor | 0.1573 |
| Rwork | 0.156 |
| R-free | 0.17920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1abr |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.759 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.630 | 27.630 | 1.320 |
| High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
| Rmerge | 0.046 | 0.015 | 0.901 |
| Rmeas | 0.050 | 0.017 | 0.974 |
| Rpim | 0.019 | 0.007 | 0.365 |
| Total number of observations | 405186 | ||
| Number of reflections | 57887 | 420 | 3026 |
| <I/σ(I)> | 18.3 | ||
| Completeness [%] | 91.7 | 92.3 | 99.1 |
| Redundancy | 7 | 5.8 | 6.7 |
| CC(1/2) | 1.000 | 0.999 | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 295.15 | 0.2M Magnesium Chloride, 20% PEG 8K, pH 6.5 |
