4JC7
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | F 2 3 |
Unit cell lengths | 169.392, 169.392, 169.392 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.348 - 2.700 |
R-factor | 0.217 |
Rwork | 0.215 |
R-free | 0.25060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.747 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 97.959 | 42.348 | 2.850 |
High resolution limit [Å] | 2.700 | 8.540 | 2.700 |
Rmerge | 0.021 | 0.828 | |
Total number of observations | 4243 | 20473 | |
Number of reflections | 11182 | ||
<I/σ(I)> | 24 | 18 | 0.9 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 12.6 | 11.2 | 12.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.4 | 298 | 2.0 M NH4SO4, 0.2 M NaCl, 0.1 M Na-cacadylate, pH 6.4, VAPOR DIFFUSION, temperature 298K |