4IYE
Crystal structure of AdTx1 (rho-Da1a) from eastern green mamba (Dendroaspis angusticeps)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-21 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9334 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 37.370, 37.370, 66.050 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.360 - 1.951 |
R-factor | 0.17445 |
Rwork | 0.170 |
R-free | 0.25188 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1FF4 without loop 1 tip |
RMSD bond length | 0.016 |
RMSD bond angle | 1.648 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.360 | 32.360 | 2.070 |
High resolution limit [Å] | 1.950 | 5.770 | 1.950 |
Rmerge | 0.171 | 0.060 | 1.088 |
Number of reflections | 3937 | ||
<I/σ(I)> | 11.43 | 35.85 | 1.12 |
Completeness [%] | 93.9 | 100 | 69.1 |
Redundancy | 8.44 | 9.67 | 2.89 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Lyophilization | 8 | 273 | Crystallization during lyophilization due to increased concentration and low temperature. Cryoconditions: 27% PEG8K, 15% MPEG550, 10% glycerol, 0.09 M Tris-HCl, pH 8.0, Lyophilization, temperature 273K |