3NIN
The structure of UBR box (RLGES)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-08 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 32 |
Unit cell lengths | 45.772, 45.772, 87.547 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.890 - 2.100 |
R-factor | 0.2167 |
Rwork | 0.214 |
R-free | 0.27270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nis |
RMSD bond length | 0.008 |
RMSD bond angle | 1.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.061 | 0.042 | 0.490 |
Number of reflections | 11997 | ||
<I/σ(I)> | 16.3 | ||
Completeness [%] | 99.8 | 96.5 | 99.8 |
Redundancy | 6.2 | 5.7 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 0.04M sodium cacodylate trihydrate pH 6.0, 0.04M magnesium acetate tetrahydrate, 30%(v/v) MPD, VAPOR DIFFUSION, HANGING DROP, temperature 295K |