5IQ3

Crystal structure of Esterase mutant - F72G/L255W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-02
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00004
Spacegroup name	C 1 2 1
Unit cell lengths	195.521, 95.877, 98.527
Unit cell angles	90.00, 95.48, 90.00

Refinement procedure

Resolution	25.360 - 1.750
R-factor	0.169
Rwork	0.169
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.109
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.360	1.810
High resolution limit [Å]	1.750	1.750
Number of reflections	182179
<I/σ(I)>	33.67	4.63
Completeness [%]	99.9	100
Redundancy	6.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	299	2.4 M sodium malonate (pH 7.0)