5NRM
Crystal structure of the sixth cohesin from Acetivibrio cellulolyticus' scaffoldin B in complex with Cel5 dockerin S51I, L52N mutant
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 | 2013-12-13 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.490, 59.950, 51.260 |
Unit cell angles | 90.00, 106.88, 90.00 |
Refinement procedure
Resolution | 49.050 - 1.400 |
R-factor | 0.1796 |
Rwork | 0.178 |
R-free | 0.20520 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.960 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 18.980 | 18.980 | 1.420 |
High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
Rmerge | 0.074 | 0.040 | 0.438 |
Rmeas | 0.095 | 0.050 | 0.566 |
Rpim | 0.059 | 0.031 | 0.356 |
Total number of observations | 76946 | 508 | 3686 |
Number of reflections | 33539 | ||
<I/σ(I)> | 6.5 | 18.7 | 1.8 |
Completeness [%] | 96.6 | 92.3 | 95.1 |
Redundancy | 2.3 | 2.5 | 2.3 |
CC(1/2) | 0.995 | 0.995 | 0.503 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 0.1M HEPES, 28% PEG400 |