7BSJ

Crystal structure of human ME2 R484W

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	2018-05-04
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	204.508, 58.443, 141.820
Unit cell angles	90.00, 129.64, 90.00

Refinement procedure

Resolution	29.400 - 2.480
R-factor	0.2408
Rwork	0.239
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1efl
RMSD bond length	0.004
RMSD bond angle	1.496
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	2.570
High resolution limit [Å]	2.460	5.330	2.480
Rmerge	0.061	0.020	0.620
Rmeas	0.072	0.024	0.725
Rpim	0.037	0.012	0.374
Number of reflections	46913	4831	4674
<I/σ(I)>	9.6
Completeness [%]	99.9	99.6	99.8
Redundancy	3.7	3.6	3.7
CC(1/2)		0.999	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	8.64% PEG 20000, 2.4% MPD, 100mM MES