2NM1
Structure of BoNT/B in complex with its protein receptor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-09 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.820, 97.520, 113.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.810 - 2.150 |
R-factor | 0.199 |
Rwork | 0.199 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z0h |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.076 | 0.507 |
Number of reflections | 32377 | |
<I/σ(I)> | 12.9 | 3 |
Completeness [%] | 99.5 | 96.1 |
Redundancy | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 293 | 13% PEG 6000, 0.1M Hepes, pH 7.0, EVAPORATION, temperature 293K |