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 |