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 |