3BNG
W. succinogenes NrfA Y218F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-05 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9785 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 120.030, 120.030, 186.276 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.450 - 1.500 |
R-factor | 0.18259 |
Rwork | 0.181 |
R-free | 0.21506 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fs7 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.480 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.3.0008) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.600 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 108437 | |
<I/σ(I)> | 14.4 | 2.7 |
Completeness [%] | 99.4 | 97.1 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 293 | PEG 4000, ammonium sulfate, yttrium chloride, acetate buffer, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |