8XBO
Crystal structure of activity improved formolase variant K6
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 | 2022-12-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 97.899, 99.210, 111.214 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.600 - 2.530 |
R-factor | 0.19 |
Rwork | 0.187 |
R-free | 0.24440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.816 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.610 |
High resolution limit [Å] | 2.520 | 5.430 | 2.520 |
Rmerge | 0.215 | 0.112 | 0.558 |
Rmeas | 0.221 | 0.115 | 0.595 |
Rpim | 0.050 | 0.025 | 0.194 |
Total number of observations | 296739 | ||
Number of reflections | 18109 | 1969 | 1582 |
<I/σ(I)> | 2.5 | ||
Completeness [%] | 97.8 | 99.9 | 86.3 |
Redundancy | 16.4 | 20.6 | 6.9 |
CC(1/2) | 0.997 | 0.998 | 0.842 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Na/K phosphate pH 6.2, 0.2 M NaCl, 36% (v/v) PEG-400 |