5YQ2

Crystal structure of E.coli aminopeptidase N in complex with Puromycin aminonucleoside

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	2016-10-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	120.223, 120.223, 170.124
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.600
R-factor	0.1579
Rwork	0.157
R-free	0.17890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hpo
RMSD bond length	0.028
RMSD bond angle	2.509
Data reduction software	HKL-2000
Data scaling software	SCALEPACK (2.2.0)
Phasing software	MOLREP (11.4.05; 02.04.2016)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.044	0.030	0.324
Rmeas	0.049	0.034	0.358
Rpim	0.021	0.015	0.152
Total number of observations	1040498
Number of reflections	186872	19224	18535
<I/σ(I)>	19.6
Completeness [%]	99.9	99.5	100
Redundancy	5.6	5	5.4
CC(1/2)		0.998	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2.0M Sodium malonate