7XQZ
Drimenyl diphosphate synthase D303A from Streptomyces showdoensis in complex with 2-fluorofarnesyl diphosphate (2F-FPP) and Mg2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-01-15 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97918 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 51.530, 114.020, 180.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.390 - 2.000 |
R-factor | 0.1771 |
Rwork | 0.175 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7xq4 |
Data reduction software | iMOSFLM |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.960 | 46.960 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.105 | 0.022 | 0.543 |
Rmeas | 0.125 | 0.028 | 0.650 |
Rpim | 0.066 | 0.017 | 0.353 |
Total number of observations | 121780 | 1028 | 8357 |
Number of reflections | 35627 | 434 | 2529 |
<I/σ(I)> | 9.2 | 16.8 | 2.5 |
Completeness [%] | 98.1 | 95.9 | 96.1 |
Redundancy | 3.4 | 2.4 | 3.3 |
CC(1/2) | 0.993 | 0.999 | 0.756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289.15 | HEPES, NaCl |