5IQ0

Crystal structure of Esterase mutant - F72G

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	2014-03-14
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97935
Spacegroup name	C 1 2 1
Unit cell lengths	196.248, 95.637, 99.135
Unit cell angles	90.00, 95.51, 90.00

Refinement procedure

Resolution	36.167 - 1.799
R-factor	0.1757
Rwork	0.175
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jkm
RMSD bond length	0.007
RMSD bond angle	1.023
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall
Low resolution limit [Å]	36.170
High resolution limit [Å]	1.799
Number of reflections	167878
<I/σ(I)>	44.86
Completeness [%]	97.9
Redundancy	5.6

Crystallization Conditions

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