4JRZ
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 | 2011-06-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.93927 |
Spacegroup name | F 2 3 |
Unit cell lengths | 169.108, 169.108, 169.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.660 - 2.400 |
R-factor | 0.2345 |
Rwork | 0.233 |
R-free | 0.26430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uui |
RMSD bond length | 0.008 |
RMSD bond angle | 1.365 |
Data reduction software | XDS |
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] | 20.728 | 20.660 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.043 | 0.557 | |
Total number of observations | 1095 | 5803 | |
Number of reflections | 15351 | ||
<I/σ(I)> | 9.8 | 14.6 | 1.2 |
Completeness [%] | 97.4 | 70.1 | 89.3 |
Redundancy | 3.5 | 3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.4 | 298 | 2.2 M NH4SO4, 0.2 M NaCl, 0.1 M Na-cacadylate, pH 6.4, VAPOR DIFFUSION, temperature 298K |