3VOD
Crystal Structure of mutant MarR C80S from E.coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BSRF BEAMLINE 3W1A |
Synchrotron site | BSRF |
Beamline | 3W1A |
Temperature [K] | 100 |
Collection date | 2011-07-11 |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 62.162, 62.162, 131.466 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.600 |
R-factor | 0.2568 |
Rwork | 0.256 |
R-free | 0.28090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.071 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 30.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.590 | 2.600 |
Rmerge | 0.072 | 0.064 | 0.386 |
Number of reflections | 8479 | ||
<I/σ(I)> | 16.3 | ||
Completeness [%] | 99.8 | 98.5 | 100 |
Redundancy | 6 | 5.4 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 0.03M Citric Acid, 0.07M BIS-TRIS, pH7.6, 24% PEG 3350,0.3M NaCl, 10mM DTT, vapor diffusion, sitting drop, temperature 293K |