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