8WMT
Crystal structure of cis-epoxysuccinic hydrolase from Bradyrhizobium mercantei
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 | 2023-09-10 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.979183 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 90.920, 90.920, 157.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.670 - 1.720 |
R-factor | 0.1736 |
Rwork | 0.172 |
R-free | 0.19630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.815 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.290 | 1.760 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.072 | 1.402 |
Rmeas | 0.073 | 1.473 |
Rpim | 0.015 | 0.442 |
Total number of observations | 1590008 | 54749 |
Number of reflections | 70748 | 5150 |
<I/σ(I)> | 24.9 | 1.7 |
Completeness [%] | 99.9 | |
Redundancy | 22.5 | 10.6 |
CC(1/2) | 1.000 | 0.678 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1.2 M Sodium citrate tribasic dihydrate, 0.1 M BIS-TRIS propane pH 6.0 |