4J7Y
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 | 2012-07-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.93937 |
Spacegroup name | F 2 3 |
Unit cell lengths | 169.275, 169.275, 169.275 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.924 - 2.901 |
R-factor | 0.2502 |
Rwork | 0.249 |
R-free | 0.26320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uui |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data scaling software | SCALA (3.3.16) |
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] | 32.653 | 34.553 | 3.060 |
High resolution limit [Å] | 2.901 | 9.170 | 2.900 |
Rmerge | 0.061 | 0.061 | |
Number of reflections | 9030 | ||
<I/σ(I)> | 7 | 5 | 0.1 |
Completeness [%] | 99.9 | 97.3 | 100 |
Redundancy | 15.6 | 14 | 15.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.2 | 298 | 1.8 M NH4SO4, 0.2 M NaCl, 0.1 M Na-cacadylate, pH 6.2, VAPOR DIFFUSION, temperature 298K |