7ST8

Crystal structure of 7H2.2 Fab in complex with SAS1B C-terminal region

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-18
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	132.355, 43.030, 106.227
Unit cell angles	90.00, 123.89, 90.00

Refinement procedure

Resolution	26.410 - 2.750
R-factor	0.2328
Rwork	0.231
R-free	0.26990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3U9U Fab heavy chain and 2XQY Fab light chain
RMSD bond length	0.003
RMSD bond angle	1.294
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.850
High resolution limit [Å]	2.750	5.920	2.750
Rmerge	0.161	0.069	0.503
Rmeas	0.169	0.071	0.564
Rpim	0.049	0.019	0.246
Total number of observations	129654
Number of reflections	13315	1430	1285
<I/σ(I)>	16.9
Completeness [%]	96.9	98.8	94.9
Redundancy	9.7	14.5	4.6
CC(1/2)		0.998	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M CHES, pH 9.5, 20 % (w/v) PEG 8000