3NDS
Crystal structure of engineered Naja Nigricollis toxin alpha
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9794913 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 40.666, 40.666, 72.197 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.755 - 1.200 |
R-factor | 0.1718 |
Rwork | 0.170 |
R-free | 0.19850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iq9 |
RMSD bond length | 0.014 |
RMSD bond angle | 2.499 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.830 | 40.830 | 1.260 |
High resolution limit [Å] | 1.200 | 3.790 | 1.200 |
Rmerge | 0.068 | 0.035 | 0.646 |
Number of reflections | 19396 | ||
<I/σ(I)> | 28.1 | 67.8 | 3.3 |
Completeness [%] | 98.8 | 94.7 | 93.9 |
Redundancy | 13.3 | 11.4 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 25 mg/ml toxin alpha-62 mutant lyophilized (2mg resuspende in 80 l 50mM sodium acetate, pH 4.25, 0.02% NaN3. precipitant: 1.8M A.S., 5% MPD, 80mM Na citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |