3NIS
The structure of UBR box (native2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-02-07 |
| Detector | MAC Science DIP-2030 |
| Wavelength(s) | 1.1000 |
| Spacegroup name | P 32 |
| Unit cell lengths | 44.576, 44.576, 140.055 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.940 - 1.680 |
| R-factor | 0.1944 |
| Rwork | 0.193 |
| R-free | 0.22140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nit |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.025 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.740 |
| High resolution limit [Å] | 1.680 | 3.620 | 1.680 |
| Rmerge | 0.091 | 0.058 | 0.521 |
| Total number of observations | 270967 | ||
| Number of reflections | 35555 | ||
| <I/σ(I)> | 9.9 | ||
| Completeness [%] | 100.0 | 99.7 | 99.9 |
| Redundancy | 7.6 | 7.1 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 0.02M calcium chloride dehydrate, 0.1M sodium acetate trihydrate pH 4.8, 30%(v/v) MPD, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
