7NDS
Crystal structure of TphC in a closed conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-26 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 69.250, 150.060, 58.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.170 - 2.400 |
R-factor | 0.1805 |
Rwork | 0.178 |
R-free | 0.21720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x9t |
RMSD bond length | 0.003 |
RMSD bond angle | 0.528 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.170 | 2.486 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.168 | 1.057 |
Rmeas | 0.182 | |
Rpim | 0.070 | 0.462 |
Number of reflections | 12237 | 1172 |
<I/σ(I)> | 9.37 | 1.7 |
Completeness [%] | 99.3 | 97.1 |
Redundancy | 6.6 | 6 |
CC(1/2) | 0.994 | 0.505 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M Ammonium sulfate, 0.1M MES pH 6.5, 30% w/v PEG 5000 MME condition SG1 drop B4 |