4NTF
Mus Musculus LTC4 synthase in S-hexyl-GSH complex form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.93928 |
Spacegroup name | F 2 3 |
Unit cell lengths | 169.107, 169.107, 169.107 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.817 - 2.650 |
R-factor | 0.2173 |
Rwork | 0.216 |
R-free | 0.24530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2UUI with waters ions and lipids removed. |
RMSD bond length | 0.010 |
RMSD bond angle | 1.367 |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.5.3) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 97.959 | 48.817 | 2.790 |
High resolution limit [Å] | 1.994 | 8.380 | 2.650 |
Rmerge | 0.016 | 0.016 | |
Total number of observations | 4255 | 14287 | |
Number of reflections | 11772 | ||
<I/σ(I)> | 24.7 | 13.2 | 0.5 |
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 10.9 | 10.5 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.2 | 298 | 2.0 M NH4SO4, 0.2 M NaCl, 0.1 M Na-cacadylate, pH 6.2, VAPOR DIFFUSION, temperature 298K |