4JCZ
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.93928 |
Spacegroup name | F 2 3 |
Unit cell lengths | 170.281, 170.281, 170.281 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.783 - 2.750 |
R-factor | 0.2133 |
Rwork | 0.212 |
R-free | 0.24240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uui |
RMSD bond length | 0.011 |
RMSD bond angle | 1.637 |
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] | 34.760 | 28.783 | 2.900 |
High resolution limit [Å] | 2.750 | 8.700 | 2.750 |
Rmerge | 0.016 | 0.016 | |
Total number of observations | 4053 | 19745 | |
Number of reflections | 10743 | ||
<I/σ(I)> | 16.2 | 18.3 | 0.5 |
Completeness [%] | 99.9 | 96.2 | 100 |
Redundancy | 12.5 | 11.5 | 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 |