7EY3

Double cysteine mutations in T1 lipase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	293.15
Detector technology	CCD
Collection date	2020-09-17
Detector	RIGAKU
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	118.174, 81.496, 100.046
Unit cell angles	90.00, 96.94, 90.00

Refinement procedure

Resolution	33.460 - 2.040
R-factor	0.189
Rwork	0.188
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dsn
RMSD bond length	0.007
RMSD bond angle	0.885
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.080
High resolution limit [Å]	2.040	2.040
Number of reflections	59606	107633
<I/σ(I)>	16
Completeness [%]	99.1
Redundancy	3.2
CC(1/2)	0.861	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.5M Sodium chloride, 0.1M Sodium citrate dihydrate pH 5.6, 2 % Ethylene imine polymer