5DRW
Crystal structure of the BCR Fab fragment from subset #4 case CLL183
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-12-07 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9762 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 90.210, 90.210, 131.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.660 - 2.270 |
R-factor | 0.1973 |
Rwork | 0.195 |
R-free | 0.24110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dn0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.036 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.660 | 2.340 |
High resolution limit [Å] | 2.270 | 2.270 |
Rmerge | 0.113 | 1.205 |
Number of reflections | 25817 | |
<I/σ(I)> | 10.7 | 2.2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 8.6 | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 298 | 0.1 M NaCitrate, 0.1 M ammonium sulfate, 1% hexanediol, 14% PEG 3350 |