8PBW
Histidine-containing phosphotransfer protein from Chaetomium thermophilum
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 | 2020-11-27 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97950 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 95.885, 149.334, 65.365 |
Unit cell angles | 90.00, 101.02, 90.00 |
Refinement procedure
Resolution | 74.780 - 2.400 |
R-factor | 0.23115 |
Rwork | 0.229 |
R-free | 0.26470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.965 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.780 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.091 | 0.570 |
Rmeas | 0.098 | 0.623 |
Rpim | 0.038 | 0.248 |
Total number of observations | 22834 | |
Number of reflections | 35171 | 3660 |
<I/σ(I)> | 10.6 | 2.7 |
Completeness [%] | 99.9 | |
Redundancy | 6.7 | 6.2 |
CC(1/2) | 0.994 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 1.5 M Sodium Citrate pH 6.5 |