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 |
