6O9A
Crystal structure of MqnA complexed with 3-hydroxybenzoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-11 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9180 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 143.102, 151.619, 75.035 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.759 - 2.326 |
R-factor | 0.1928 |
Rwork | 0.191 |
R-free | 0.22410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2i6e |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.14_3211) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.360 |
High resolution limit [Å] | 2.320 | 6.290 | 2.320 |
Rmerge | 0.070 | 0.047 | 0.134 |
Total number of observations | 138300 | ||
Number of reflections | 34973 | 1799 | 1695 |
<I/σ(I)> | 20.5 | ||
Completeness [%] | 98.9 | 94.5 | 97.4 |
Redundancy | 4 | 3.8 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.1 M acetate (pH 5.5), 13% PEG 1500, 2.5 M sodium chloride (NaCl), and 1.5% 2-methyl-2,4-pentanediol (MPD) |