3W5Y
MamM-CTD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.939 |
Spacegroup name | F 2 3 |
Unit cell lengths | 133.384, 133.384, 133.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.680 - 1.950 |
R-factor | 0.2096 |
Rwork | 0.207 |
R-free | 0.26870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w5x |
RMSD bond length | 0.023 |
RMSD bond angle | 1.863 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.980 |
High resolution limit [Å] | 1.950 | 5.260 | 1.950 |
Rmerge | 0.062 | 0.043 | 0.434 |
Number of reflections | 13839 | ||
<I/σ(I)> | 20.7 | ||
Completeness [%] | 96.1 | 83.1 | 100 |
Redundancy | 5.6 | 5.7 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 7.5% 2-propanol 1.75M AmSO4 , pH 8, VAPOR DIFFUSION, SITTING DROP |