4L7T
B. fragilis NanU
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-07-23 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.530, 88.530, 99.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.520 - 1.610 |
R-factor | 0.19271 |
Rwork | 0.191 |
R-free | 0.23199 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 2.042 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.520 | 1.650 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.825 | |
Number of reflections | 75294 | |
<I/σ(I)> | 2.6 | |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 6.7 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 290 | 25mM Na phosphate pH7.4, 0.2 M ammonium acetate, 20 % w/v PEG3350 - 14 days, VAPOR DIFFUSION, HANGING DROP, temperature 290K |