4XI0
MamA 41-end from Desulfovibrio magneticus RS-1
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 | 2011-12-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.939 |
Spacegroup name | I 4 |
Unit cell lengths | 151.087, 151.087, 204.903 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.000 - 2.880 |
R-factor | 0.2099 |
Rwork | 0.209 |
R-free | 0.22010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3as5 |
RMSD bond length | 0.024 |
RMSD bond angle | 1.897 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | BALBES |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 22.000 | 22.000 | 2.930 |
High resolution limit [Å] | 2.880 | 7.710 | 2.880 |
Rmerge | 0.065 | 0.039 | 0.608 |
Total number of observations | 320120 | ||
Number of reflections | 51648 | ||
<I/σ(I)> | 20.4 | ||
Completeness [%] | 99.8 | 96.1 | 100 |
Redundancy | 6.2 | 5.6 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 277 | 0.1 M Tris pH 8.1, 0.75 M sodium potassium tartrate and 0.5% polyethylene glycol monomethyl ether 5000 |