6DDR

Crystal Structure Analysis of the Epitope of an Anti-MICA Antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	51.549, 61.833, 172.368
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.900
R-factor	0.2103
Rwork	0.208
R-free	0.24680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a2y 4j8r 1nz8 6ddm
RMSD bond length	0.006
RMSD bond angle	1.117
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	1.930
High resolution limit [Å]	1.900	5.150	1.900
Rmerge	0.085	0.050	0.486
Rmeas	0.093	0.055	0.551
Rpim	0.038	0.022	0.254
Number of reflections	42120	2410	1635
<I/σ(I)>	7.7
Completeness [%]	95.0	99.5	74.6
Redundancy	5.2	5.8	4
CC(1/2)		0.997	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	0.01 M ZnSO4, 0.1 M MES, pH 6.5, 16% PEG 550 MME