3NIM
The structure of UBR box (RRAA)
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 | 2009-12-20 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 32 |
Unit cell lengths | 44.868, 44.868, 140.136 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.730 - 2.000 |
R-factor | 0.1932 |
Rwork | 0.191 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nis |
RMSD bond length | 0.009 |
RMSD bond angle | 1.211 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.080 | 0.048 | 0.596 |
Number of reflections | 19874 | ||
<I/σ(I)> | 12.4 | ||
Completeness [%] | 92.8 | 97 | 91.3 |
Redundancy | 4.9 | 4.9 | 5.1 |
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 |