6PXQ

Crystal structure of human thrombin mutant D194A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-01-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	73.216, 73.216, 160.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.630 - 2.800
R-factor	0.2604
Rwork	0.259
R-free	0.29240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ppb
RMSD bond length	0.008
RMSD bond angle	1.305
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.630	2.850
High resolution limit [Å]	2.800	2.800
Number of reflections	10857	399
<I/σ(I)>	11.7
Completeness [%]	94.8	73.9
Redundancy	12.2	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	200 mM di-Na phosphate and 20% PEG 3350