5L6Z

Crystal structure of D62A mutant of Thermotoga maritima TmPEP1050 aminopeptidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9797
Spacegroup name	C 2 2 21
Unit cell lengths	42.180, 113.960, 267.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.000 - 1.501
R-factor	0.1849
Rwork	0.183
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p6y
RMSD bond length	0.006
RMSD bond angle	0.821
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (v1.10.1-2155-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.040		1.530
High resolution limit [Å]	1.490	6.660	1.490
Rmerge	0.091	0.037	0.493
Number of reflections	103936
<I/σ(I)>	14.48	25.52	3.51
Completeness [%]	98.3	97	77.3
Redundancy	5.8
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	292	0.1M sodium acetate, 5% PEG3350 (v/v) pH5.2