3NIT
The structure of UBR box (native1)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-10-01 |
| Detector | MAC Science DIP-2030 |
| Wavelength(s) | 1.12713,1.28305,1.28325 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 39.207, 39.207, 274.689 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.840 - 2.600 |
| R-factor | 0.2457 |
| Rwork | 0.244 |
| R-free | 0.28410 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.934 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.610 |
| High resolution limit [Å] | 2.520 | 5.430 | 2.520 |
| Rmerge | 0.091 | 0.058 | 0.711 |
| Number of reflections | 4701 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 94.2 | 97.3 | 54.2 |
| Redundancy | 17.3 | 16.2 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 0.1M HEPES pH 7.7, 70%(v/v) MPD, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
