7K4M

Crystal structure of MetAP2 Modified Hemoglobin S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-18
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.54056
Spacegroup name	I 1 2 1
Unit cell lengths	134.844, 53.846, 195.640
Unit cell angles	90.00, 91.73, 90.00

Refinement procedure

Resolution	29.067 - 2.500
R-factor	0.2433
Rwork	0.239
R-free	0.32280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bbb
RMSD bond length	0.008
RMSD bond angle	1.384
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.070	2.680	2.580
High resolution limit [Å]	2.500	2.580	2.500
Rmerge	0.084		0.781
Rmeas	0.096		0.889
Rpim	0.045		0.418
Total number of observations	215997
Number of reflections	49161	4478	4481
<I/σ(I)>	13.6
Completeness [%]	99.9	99.8	99.8
Redundancy	4.4	4.4	4.4
CC(1/2)	0.999	0.775	0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.6	293	0.2M Na acetate/0.1M Na cacodylate, 30% PEG-8000