7W1G
Crystal structure of YfiH with C107A mutation in complex with UDP-MurNAc-L-Serine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-11-08 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.556, 99.236, 136.933 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.450 - 1.860 |
R-factor | 0.2175 |
Rwork | 0.215 |
R-free | 0.26610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7f3v |
RMSD bond length | 0.008 |
RMSD bond angle | 1.562 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.940 |
High resolution limit [Å] | 1.860 | 4.030 | 1.870 |
Rmerge | 0.115 | 0.054 | 0.685 |
Rmeas | 0.130 | 0.063 | 0.755 |
Rpim | 0.059 | 0.032 | 0.311 |
Number of reflections | 75568 | 6803 | 7199 |
<I/σ(I)> | 6.3 | ||
Completeness [%] | 92.7 | 79.6 | 89.3 |
Redundancy | 5.1 | 3.8 | 5.6 |
CC(1/2) | 0.993 | 0.852 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 2.0 M ammonium sulfate and 100 mM sodium acetate at pH 5.4 |