4U0O
Crystal structure of Thermosynechococcus elongatus Lipoyl Synthase 2 complexed with MTA and DTT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-07 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 70.880, 162.800, 58.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.988 - 1.600 |
R-factor | 0.2045 |
Rwork | 0.203 |
R-free | 0.24150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u0p |
RMSD bond length | 0.017 |
RMSD bond angle | 1.958 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.990 | 64.990 | 1.640 |
High resolution limit [Å] | 1.600 | 7.160 | 1.600 |
Rmerge | 0.037 | 0.031 | 0.601 |
Rpim | 0.025 | 0.023 | 0.362 |
Total number of observations | 194222 | 2447 | 15319 |
Number of reflections | 44264 | ||
<I/σ(I)> | 15 | 42.4 | 2.1 |
Completeness [%] | 98.2 | 98.4 | 98.6 |
Redundancy | 4.4 | 4.3 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100 mM bicine pH 8.5, 15% PEG 20,000, 3% dextran sulfate sodium salt |