3TOR
Crystal structure of Escherichia coli NrfA with Europium bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.2 |
Synchrotron site | SRS |
Beamline | PX14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-12-17 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.884, 90.489, 292.196 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 146.100 - 2.000 |
R-factor | 0.16646 |
Rwork | 0.164 |
R-free | 0.22194 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rdz |
RMSD bond length | 0.023 |
RMSD bond angle | 1.854 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 146.100 | 2.053 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 139682 | |
<I/σ(I)> | 11.6 | 8.73 |
Completeness [%] | 98.5 | 93.28 |
Redundancy | 3.01 | 2.72 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Crystals were obtained in 100 mM HEPES pH 7.5, 20 % PEG 10 K. Soaked in mother liqour containing 10 mM Eu(II)Cl, 20 % Ethylene glycol for 2 minutes before immersion in liquid nitrogen., VAPOR DIFFUSION, HANGING DROP, temperature 277K |