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 |