5QTI
T. brucei FPPS in complex with CID 62483448
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-28 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.967700 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 60.529, 60.529, 340.460 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.809 - 2.112 |
R-factor | 0.243 |
Rwork | 0.241 |
R-free | 0.27870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 4ryp |
Data reduction software | XDS (20180808) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.743 | 2.315 |
High resolution limit [Å] | 2.112 | 2.112 |
Rmerge | 0.198 | 2.231 |
Rmeas | 0.187 | 1.953 |
Rpim | 0.030 | 0.302 |
Total number of observations | 545040 | 83187 |
Number of reflections | 16042 | 2024 |
<I/σ(I)> | 15.6 | 2.5 |
Completeness [%] | 70.2 | 14.4 |
Redundancy | 37.3 | 26.2 |
CC(1/2) | 0.999 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.12 M CsCl 12 % w/v PEG 3350, 12 % v/v DMSO |