3B1Y
Crystal structure of an S. thermophilus NFeoB T35A mutant bound to GDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-03 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.95370 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 42.800, 42.800, 281.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.290 - 2.500 |
R-factor | 0.2244 |
Rwork | 0.220 |
R-free | 0.26050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lx8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.483 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.079 | 0.044 | 0.358 |
Number of reflections | 9980 | ||
<I/σ(I)> | 25.1 | 2.3 | |
Completeness [%] | 99.3 | 99.8 | 89.2 |
Redundancy | 10.1 | 9.9 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1M MIB buffer, 25%(w/v) PEG 1500, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |