3CAL
Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of staphylococcus aureus fnbpa-5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97900 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.495, 73.438, 36.742 |
Unit cell angles | 90.00, 95.05, 90.00 |
Refinement procedure
Resolution | 36.588 - 1.700 |
R-factor | 0.17865 |
Rwork | 0.177 |
R-free | 0.21665 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rkz |
RMSD bond length | 0.014 |
RMSD bond angle | 1.428 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0013) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.588 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 19459 | |
<I/σ(I)> | 20.7 | 4.2 |
Completeness [%] | 96.3 | 95.7 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.95M succinic acid, pH7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |