3F5E
Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 2'F-3'SiaLacNAc1-3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.934 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 66.325, 66.325, 172.091 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.660 - 2.000 |
R-factor | 0.1687 |
Rwork | 0.165 |
R-free | 0.20350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jh1 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.355 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.730 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 23986 | |
<I/σ(I)> | 10.7 | 5.6 |
Completeness [%] | 99.4 | 100 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 290 | 3.6M Ammonium acetate, 100mM Bis/tris-propane, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K |