5YQ1

Crystal structure of E.coli aminopeptidase N in complex with O-Methyl-L-tyrosine

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	2016-12-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 31 2 1
Unit cell lengths	120.413, 120.413, 169.775
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.580
R-factor	0.1652
Rwork	0.164
R-free	0.18220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hpo
RMSD bond length	0.025
RMSD bond angle	2.383
Data reduction software	HKL-2000 (2.3.1)
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	1.640
High resolution limit [Å]	1.580	3.400	1.580
Rmerge	0.068	0.041	0.729
Rmeas	0.078	0.049	0.836
Rpim	0.038	0.025	0.402
Number of reflections	192304	18584	19203
<I/σ(I)>	12.9		2.13
Completeness [%]	99.1	92.6	99.9
Redundancy	4.1	3.3	4
CC(1/2)	0.997	0.996	0.660

Crystallization Conditions

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