3TAH
Crystal structure of an S. thermophilus NFeoB N11A mutant bound to mGDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-02-05 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 60.100, 63.800, 265.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.850 |
R-factor | 0.17776 |
Rwork | 0.176 |
R-free | 0.21612 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lx8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.502 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
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 | 1.880 |
High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
Rmerge | 0.039 | 0.379 | |
Number of reflections | 43892 | ||
<I/σ(I)> | 24.9 | 2.5 | |
Completeness [%] | 99.3 | 98.6 | 93.4 |
Redundancy | 6.2 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.2M LiCl, 0.1M Mes, 20% PEG 6000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |