4PZ5
Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of BBK32 from Borrelia burgdorferi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0039 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 86.580, 86.580, 63.570 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.490 - 1.960 |
R-factor | 0.163 |
Rwork | 0.161 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cg7 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.969 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.490 | 2.030 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.104 | 0.590 |
Number of reflections | 10524 | |
<I/σ(I)> | 12.9 | 4.3 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.2 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 291 | 1.4 M Na/K phosphate, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 291K |