5YR6

Human methionine aminopeptidase type 1b (F309L mutant) in complex with TNP470

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	2017-03-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	47.439, 77.325, 47.759
Unit cell angles	90.00, 91.70, 90.00

Refinement procedure

Resolution	25.610 - 1.750
R-factor	0.1816
Rwork	0.180
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gz5
RMSD bond length	0.012
RMSD bond angle	1.637
Data reduction software	DENZO (2.3.1)
Data scaling software	SCALEPACK (2.2.0)
Phasing software	MOLREP (11.5.05)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.000	27.000	1.810
High resolution limit [Å]	1.750	3.770	1.750
Rmerge	0.060	0.039	0.502
Rmeas	0.071	0.046	0.609
Rpim	0.038	0.025	0.339
Number of reflections	34902	3541	3463
<I/σ(I)>	16.2
Completeness [%]	99.9	99	99.9
Redundancy	3.2	3.3	3
CC(1/2)		0.997	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	0.1M Bistris pH-6.2, 19% PEG 3350, 5% Glycerol