Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9A |
Synchrotron site | NSLS |
Beamline | X9A |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2005-02-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.978 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 141.122, 141.122, 105.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.310 - 3.500 |
R-factor | 0.20079 |
Rwork | 0.195 |
R-free | 0.25547 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Abrin-a (PDB code: 1ABR) |
RMSD bond length | 0.013 |
RMSD bond angle | 1.725 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.310 | 3.700 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.095 | 0.539 |
Number of reflections | 11360 | |
<I/σ(I)> | 13.1 | 2.3 |
Completeness [%] | 95.7 | 96.8 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | PEG 8000, TRIS-HCL BUFFER, PH 8.5, , VAPOR DIFFUSION, HANGING DROP, temperature 298K |