4NJ9
Crystal structure of Fab 8B10 in complex with MPTS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-30 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03318 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.133, 58.441, 212.852 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.900 - 1.950 |
R-factor | 0.2169 |
Rwork | 0.214 |
R-free | 0.26411 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.840 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.900 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.070 | 0.668 |
Number of reflections | 35255 | |
<I/σ(I)> | 21.5 | 2.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.6 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2M zinc acetate, 18% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |