6C5I
Unliganded S25-5 Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.635, 72.877, 109.015 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.890 |
R-factor | 0.1952 |
Rwork | 0.193 |
R-free | 0.23080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6c5h |
RMSD bond length | 0.009 |
RMSD bond angle | 1.390 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.960 |
High resolution limit [Å] | 1.890 | 4.070 | 1.890 |
Rmerge | 0.077 | 0.035 | |
Rmeas | 0.082 | 0.038 | |
Rpim | 0.031 | 0.014 | 0.456 |
Number of reflections | 42184 | 4445 | 4165 |
<I/σ(I)> | 12.9 | ||
Completeness [%] | 99.8 | 99.7 | 99.6 |
Redundancy | 8.1 | 7.7 | 8 |
CC(1/2) | 0.999 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289.15 | 0.01 M NiCl2, 0.1 M Tris-HCl, 20% [w/v] PEG 2000 MME |