6FOE
BaxB01 Fab fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-01 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96770 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 102.700, 102.700, 188.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 69.478 - 2.600 |
R-factor | 0.216 |
Rwork | 0.214 |
R-free | 0.26250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4q9q |
RMSD bond length | 0.004 |
RMSD bond angle | 0.675 |
Data reduction software | XDS (Version May 1, 2016) |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.6.1) |
Refinement software | PHENIX (1.11.1-2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 72.620 | 72.620 | 2.740 |
High resolution limit [Å] | 2.600 | 8.220 | 2.600 |
Rmerge | 0.204 | 0.091 | 1.960 |
Rmeas | 0.211 | 0.093 | 2.022 |
Rpim | 0.049 | 0.020 | 0.480 |
Number of reflections | 31799 | 1169 | 4522 |
<I/σ(I)> | 10.6 | 4.8 | 0.4 |
Completeness [%] | 99.7 | 99.9 | 99.3 |
Redundancy | 17.4 | 21.9 | 16.4 |
CC(1/2) | 0.995 | 0.630 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 293 | 100 mM Tris/HCl, 25% (w/v) PEG 3350 |