2QQB
Crystal Structure of DtxR(M10A C102D) Complexed with Nickel(II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-05 |
Detector | OXFORD ONYX CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 62.320, 62.320, 104.582 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.870 - 1.920 |
R-factor | 0.22871 |
Rwork | 0.224 |
R-free | 0.31103 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p92 |
RMSD bond length | 0.028 |
RMSD bond angle | 2.530 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.870 | 1.970 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.114 | |
Number of reflections | 15860 | |
<I/σ(I)> | 6.01 | |
Completeness [%] | 90.0 | 41.69 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M Sodium Phosphate, 20% PEG 3350, 5 mM Nickel Chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |