3NSW
Crystal Structure of Ancylostoma ceylanicum Excretory-Secretory Protein 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 43 |
| Unit cell lengths | 52.212, 52.212, 345.263 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.910 - 1.750 |
| R-factor | 0.14773 |
| Rwork | 0.146 |
| R-free | 0.17466 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | STARTING MODEL: THE STRUCTURE OF ACEES-2 WAS SOLVED USING A LEAD (PBNO3) SOAKED CRYSTAL AND SAD METHODS AT 2.0 ANGSTROM RESOLUTION |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.122 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.910 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.074 | 0.354 |
| Number of reflections | 79362 | |
| <I/σ(I)> | 18.498 | 2.326 |
| Completeness [%] | 90.5 | 52.3 |
| Redundancy | 4.6 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 277 | 0.1 M 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (HEPES), 60% (4S)-2-Methyl-2,4-pentanediol (MPD), pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
