8ORU
cyclic 2,3-diphosphoglycerate synthetase from the hyperthermophilic archaeon Methanothermus fervidus bound to 2,3-diphosphoglycerate and ADP.
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-18 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 |
Unit cell lengths | 71.234, 71.478, 103.543 |
Unit cell angles | 97.02, 103.42, 99.05 |
Refinement procedure
Resolution | 69.920 - 2.230 |
Rwork | 0.216 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.920 | 2.270 |
High resolution limit [Å] | 2.230 | 2.230 |
Rmerge | 0.081 | |
Rmeas | 0.115 | |
Number of reflections | 92153 | 4558 |
<I/σ(I)> | 6.3 | |
Completeness [%] | 97.7 | 97 |
Redundancy | 1.8 | 1.9 |
CC(1/2) | 0.986 | 0.382 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.5 | 292.15 | The substrate bound crystals grew in condition E12 of the Morpheus screen consisting of 0.12M Ethylene glycols mix, 0.1M Buffer System 3 pH 8.5 and 37.5% v/v of Precipitant Mix 4. where the different solution are: Ethylene glycols mix: 0.3M Diethylene glycol; 0.3M Triethylene glycol; 0.3M Tetraethylene glycol; 0.3M Pentaethylene glycol. Buffer system 3: Tris (base); BICINE pH 8.5 Precipitant mix 4: 25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350 |