5XAN
Crystal structure of SecDF in I form (P212121 space group)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-20 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.545, 73.814, 369.746 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.195 - 2.750 |
R-factor | 0.2146 |
Rwork | 0.212 |
R-free | 0.26760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3aqp |
RMSD bond length | 0.010 |
RMSD bond angle | 1.057 |
Data reduction software | HKL |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
Rmerge | 0.141 | 0.054 | 0.555 |
Rmeas | 0.154 | 0.059 | 0.617 |
Rpim | 0.059 | 0.022 | 0.261 |
Number of reflections | 47548 | ||
<I/σ(I)> | 4.8 | ||
Completeness [%] | 97.8 | 99.3 | 86.4 |
Redundancy | 6.4 | 6.7 | 5 |
CC(1/2) | 0.997 | 0.813 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6.6 | 298 | 40% PEG 200, 100mM Na-citrate, 100mM LiSO4 |