3NIH
The structure of UBR box (RIAAA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-25 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 58.274, 58.274, 110.999 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.350 - 2.100 |
| R-factor | 0.2548 |
| Rwork | 0.253 |
| R-free | 0.28480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nis |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.029 |
| 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 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.077 | 0.049 | 0.510 |
| Number of reflections | 7049 | ||
| <I/σ(I)> | 12.7 | ||
| Completeness [%] | 99.8 | 98.3 | 100 |
| Redundancy | 26.3 | 23.5 | 22 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 0.16M ammonium acetate, 0.01M calcium chloride dihydrate, 0.05M sodium cacodylate trihydrate pH 6.5, 8%(w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
