5YQT
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-11-24 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 104.254, 60.677, 118.759 |
Unit cell angles | 90.00, 90.53, 90.00 |
Refinement procedure
Resolution | 30.155 - 2.300 |
R-factor | 0.227 |
Rwork | 0.224 |
R-free | 0.28330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xby |
RMSD bond length | 0.009 |
RMSD bond angle | 0.923 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 63084 | |
<I/σ(I)> | 7.787 | |
Completeness [%] | 95.0 | |
Redundancy | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 1.4 M citrate sodium |