6XWL
Cystathionine beta-synthase from Toxoplasma gondii
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 | 2019-02-10 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 31 |
Unit cell lengths | 83.237, 83.237, 420.309 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.136 - 3.201 |
R-factor | 0.2544 |
Rwork | 0.253 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jbq |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 420.309 | 420.309 | 3.240 |
High resolution limit [Å] | 2.855 | 9.234 | 2.855 |
Rmerge | 0.115 | 0.044 | 1.299 |
Rmeas | 0.121 | 0.047 | 1.371 |
Rpim | 0.038 | 0.015 | 0.436 |
Total number of observations | 457518 | 21505 | 21374 |
Number of reflections | 44707 | 2211 | 2211 |
<I/σ(I)> | 12.4 | 39.2 | 1.7 |
Completeness [%] | 89.7 | 99.9 | 66.2 |
Redundancy | 10.2 | 9.7 | 9.7 |
CC(1/2) | 0.999 | 0.998 | 0.663 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 291 | 8% PEG 3350 0.1M MES pH=5.7 |