7BSL

Crystal Structure of human ME2 R67A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-06
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	118.199, 191.146, 59.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.220 - 2.550
R-factor	0.2518
Rwork	0.249
R-free	0.29740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1efl
RMSD bond length	0.002
RMSD bond angle	1.250
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.640
High resolution limit [Å]	2.550	5.480	2.550
Rmerge	0.057	0.032	0.329
Rmeas	0.065	0.036	0.388
Rpim	0.030	0.017	0.201
Total number of observations	200658
Number of reflections	43360	4708	3526
<I/σ(I)>	12.3
Completeness [%]	97.5	99.6	80.7
Redundancy	4.6	4.5	3.3
CC(1/2)		0.998	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	293	PEG20000 7% MPD(v/v) 5% MES