5CG6
Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate and isopentenyl pyrophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2014-06-14 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 111.627, 111.627, 72.553 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.119 - 2.400 |
R-factor | 0.2613 |
Rwork | 0.260 |
R-free | 0.28660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cg5 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.082 |
Data reduction software | STARGazer |
Data scaling software | STARGazer |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.310 | 2.490 | 1.730 |
High resolution limit [Å] | 1.700 | 2.400 | 1.700 |
Rmerge | 0.097 | 0.379 | 0.777 |
Number of reflections | 49965 | ||
Completeness [%] | 97.7 | 98.1 | 99.7 |
Redundancy | 8.6 | 2.7 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.0 M NaCl, 0.08 M sodium acetate, 0.02 M acetic acid | |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.0 M NaCl, 0.08 M sodium acetate, 0.02 M acetic acid |