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 |