2IFA
Crystal Structure of the PUTATIVE NITROREDUCTASE (SMU.260) IN COMPLEX WITH FMN FROM STREPTOCOCCUS MUTANS, NORTHEAST STRUCTURAL GENOMICS TARGET SMR5.
Replaces: 1YW3Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-08 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97894 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 109.435, 60.871, 109.155 |
Unit cell angles | 90.00, 117.83, 90.00 |
Refinement procedure
Resolution | 29.030 - 2.300 |
R-factor | 0.218 |
Rwork | 0.218 |
R-free | 0.27300 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.030 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.067 | 0.228 |
Number of reflections | 106951 | |
<I/σ(I)> | 17.5 | 5.2 |
Completeness [%] | 96.7 | 96.7 |
Redundancy | 4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 100 MM SODIUM ACETATE, 18% PEG3350, 240 MM AMMONIUM DIHYDROGEN PHOSPHATE, 10 MM FMN, AND 5 DTT., pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |