3SRJ
PfAMA1 in complex with invasion-inhibitory peptide R1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2010-09-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97911 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.320, 144.320, 145.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.060 - 2.150 |
| R-factor | 0.1726 |
| Rwork | 0.171 |
| R-free | 0.21380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z40 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.9.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.280 | 2.270 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.075 | 0.485 |
| Number of reflections | 42798 | |
| <I/σ(I)> | 13.3 | 2.2 |
| Completeness [%] | 95.3 | 75.7 |
| Redundancy | 3.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 290 | 15% PEG 4000, 0.1M Tris/HCL, 0.1M sodium acetate, 10% isopropanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
