7WBR
Citrate synthase/lyase from Desulfurella acetivorans Desace_08345
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-08 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.97915 |
Spacegroup name | H 3 |
Unit cell lengths | 362.335, 362.335, 77.886 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 181.170 - 2.190 |
R-factor | 0.1984 |
Rwork | 0.196 |
R-free | 0.24910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ixe |
RMSD bond length | 0.016 |
RMSD bond angle | 1.882 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 181.170 | 2.220 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.129 | 0.567 |
Rmeas | 0.606 | |
Rpim | 0.210 | |
Number of reflections | 191541 | 9494 |
<I/σ(I)> | 32 | |
Completeness [%] | 97.5 | |
Redundancy | 8.2 | 8 |
CC(1/2) | 0.991 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | PEG 3350, Ammonium citrate tribasic pH 7.0 |