5YR4

Human methionine aminopeptidase type 1b (F309M 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	2015-07-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	47.210, 77.241, 47.174
Unit cell angles	90.00, 92.03, 90.00

Refinement procedure

Resolution	23.580 - 1.820
R-factor	0.1752
Rwork	0.173
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gz5
RMSD bond length	0.012
RMSD bond angle	1.638
Data reduction software	DENZO (2.3.1)
Data scaling software	SCALEPACK
Phasing software	MOLREP (11.5.05)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.000	31.000	1.890
High resolution limit [Å]	1.820	3.920	1.820
Rmerge	0.058	0.033	0.569
Rmeas	0.068	0.038	0.676
Rpim	0.036	0.020	0.360
Number of reflections	30236	3074	3006
<I/σ(I)>	12.8
Completeness [%]	100.0	99.8	99.8
Redundancy	3.6	3.7	3.5
CC(1/2)		0.998	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.1M Hepes pH-6.0, 19% PEG MME 2000