7YVY
Crystal structure of thiolase PFC_04095 from Pyrococcus furiosus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0723 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 133.246, 113.482, 107.533 |
Unit cell angles | 90.00, 123.03, 90.00 |
Refinement procedure
Resolution | 48.030 - 2.700 |
R-factor | 0.2114 |
Rwork | 0.209 |
R-free | 0.25240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6esq |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.030 | 2.797 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 36797 | 3666 |
<I/σ(I)> | 16.93 | |
Completeness [%] | 99.2 | |
Redundancy | 6.7 | |
CC(1/2) | 0.998 | 0.923 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M carboxylic acids, 0.1 M buffer system 3 pH 8.5 and 50 % v/v precipitant mix 4. Carboxylic acids: 0.2 M each of sodium formate, ammonium acetate, sodium citrate tribasic dihydrate, sodium potassium tartrate tetrahydrate and sodium oxamate. Buffer system 3: Tris (base); bicine pH 8.5 Precipitant mix 4: MPD_PIK_P3350 (25 % v/v MPD, 25 % PEG 1000, 25 % w/v PEG 3350) |