6R05
T. CRUZI FPPS IN COMPLEX WITH N-BENZYL-6-METHYLPYRIDIN-2-AMINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.999810 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 58.106, 58.106, 396.688 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.620 - 1.570 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.20850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dwg |
RMSD bond length | 0.010 |
RMSD bond angle | 0.890 |
Data reduction software | XDS (20180126) |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER (2.8.2) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.115 | 1.595 |
High resolution limit [Å] | 1.568 | 1.568 |
Rmerge | 0.099 | 3.102 |
Rmeas | 0.102 | 3.190 |
Rpim | 0.024 | 0.741 |
Number of reflections | 57627 | 2762 |
<I/σ(I)> | 15.1 | 0.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 18 | 18.3 |
CC(1/2) | 0.998 | 0.417 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 80 mM MES, 8.5 mM ZnSO4, 19.42% PEG MME 550, 15% glycerol |