1S5C
Cholera holotoxin with an A-subunit Y30S mutation, Crystal form 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-24 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.0414 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.818, 85.199, 71.255 |
| Unit cell angles | 90.00, 104.48, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.500 |
| R-factor | 0.19882 |
| Rwork | 0.195 |
| R-free | 0.26172 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1LTG 3chb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.215 |
| 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] | 19.960 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 23503 | |
| <I/σ(I)> | 12.2 | 2.5 |
| Completeness [%] | 99.2 | 98.7 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | PEG 2000mme, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
