7QZ3
The structure of T. forsythia NanH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 79.740, 79.740, 349.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.863 - 1.970 |
Rwork | 0.230 |
R-free | 0.26620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bbw |
RMSD bond length | 0.005 |
RMSD bond angle | 1.350 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.863 | 2.010 |
High resolution limit [Å] | 1.970 | 1.970 |
Number of reflections | 80616 | 4386 |
<I/σ(I)> | 21.8 | 1.3 |
Completeness [%] | 99.4 | |
Redundancy | 3.81 | |
CC(1/2) | 1.000 | 0.472 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 290 | 7% PEG6000 0.1M HEPES |