3VOE
Crystal Structure of wild type MarR (apo form) 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 | 2011-06-29 |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 61.960, 61.960, 131.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.600 |
R-factor | 0.246 |
Rwork | 0.241 |
R-free | 0.29020 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.525 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.068 | 35.828 | 2.740 |
High resolution limit [Å] | 2.600 | 8.220 | 2.600 |
Rmerge | 0.021 | 0.644 | |
Rmeas | 0.023 | 0.688 | |
Rpim | 0.009 | 0.239 | |
Total number of observations | 2115 | 9690 | |
Number of reflections | 8461 | ||
<I/σ(I)> | 16.2 | 37.4 | 2.7 |
Completeness [%] | 99.9 | 97.3 | 100 |
Redundancy | 7.9 | 6.6 | 8.1 |
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, 18-20% PEG 3350,0.3M NaCl, 10mM DTT, vapor diffusion, sitting drop, temperature 293K |