2GSI
Crystal Structure of a Murine Fab in Complex with an 11 Residue Peptide Derived from Staphylococcal Nuclease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-10-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 105.739, 131.040, 291.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.740 - 2.810 |
R-factor | 0.22451 |
Rwork | 0.221 |
R-free | 0.29278 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries: 1f11 2aju 1f58 1cr9 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.394 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.120 | 0.489 |
Number of reflections | 42035 | |
<I/σ(I)> | 24.1 | 4.9 |
Completeness [%] | 84.6 | 83.6 |
Redundancy | 4.4 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 18% PEG 2000, 16% isopropanol, 0.1 M sodium citrate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |