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 |