3NEC
Crystal Structure of Toxoplasma gondii Profilin
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 | 2009-02-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.528, 53.335, 68.617 |
| Unit cell angles | 74.70, 73.82, 68.98 |
Refinement procedure
| Resolution | 26.300 - 1.700 |
| Rwork | 0.159 |
| R-free | 0.19618 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2JKF without residues 57-77 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.168 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.073 | 0.410 |
| Number of reflections | 61203 | |
| <I/σ(I)> | 17.18 | 3 |
| Completeness [%] | 94.0 | 69.9 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 2.4 M ammonium sulfate, 0.1 M sodium citrate, 0.2 M potassium/sodium tartrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 289.0K |
