7FAG

Room temperature structure of elastase with high-strength agarose hydrogel

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	298
Detector technology	CCD
Collection date	2015-11-19
Detector	RAYONIX MX225HE
Wavelength(s)	0.90000
Spacegroup name	P 21 21 21
Unit cell lengths	51.209, 58.116, 75.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.910 - 1.300
R-factor	0.11701
Rwork	0.115
R-free	0.15288
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5avd
RMSD bond length	0.016
RMSD bond angle	1.944
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.320
High resolution limit [Å]	1.300	1.300
Rpim	0.044	0.314
Number of reflections	54930	2663
<I/σ(I)>	9.5
Completeness [%]	98.2
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	0.1M Na acetate (pH8.5), 0.03M ammonium sulfate