5AEL
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2013-07-17 |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 133.835, 118.250, 62.424 |
Unit cell angles | 90.00, 112.39, 90.00 |
Refinement procedure
Resolution | 85.490 - 2.600 |
R-factor | 0.16712 |
Rwork | 0.164 |
R-free | 0.22957 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p1c |
RMSD bond length | 0.012 |
RMSD bond angle | 1.549 |
Data reduction software | HKL-2000 |
Phasing software | CCP4 |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.490 | 2.660 |
High resolution limit [Å] | 2.600 | 2.610 |
Rmerge | 0.080 | |
Number of reflections | 25663 | |
<I/σ(I)> | 16.8 | 16.8 |
Completeness [%] | 98.7 | 98.7 |
Redundancy | 5.2 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 298 | 6% MPD, 0.1 AMMONIUM ACETATE, PH 5.75, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |