1S5E
Cholera holotoxin, Crystal form 1
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 | 2002-11-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0781 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.931, 108.230, 122.976 |
Unit cell angles | 90.00, 95.89, 90.00 |
Refinement procedure
Resolution | 40.820 - 1.900 |
R-factor | 0.16904 |
Rwork | 0.167 |
R-free | 0.20521 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CTY30S Form 3 structure (PDB ID 1S5B) |
RMSD bond length | 0.013 |
RMSD bond angle | 1.410 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.390 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 122327 | |
<I/σ(I)> | 14.5 | 2.85 |
Completeness [%] | 99.1 | 97.1 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | PEG 3350, magnesium acetate, galactose, VAPOR DIFFUSION, SITTING DROP, temperature 298K |