6NL7

Crystal structure of B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21H, T25H, K28Y, V29I, K31R, Q32A, Y33L, N35K, D36A, N37Q)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.098
Spacegroup name	P 1 21 1
Unit cell lengths	40.903, 63.057, 53.225
Unit cell angles	90.00, 103.31, 90.00

Refinement procedure

Resolution	40.060 - 1.400
R-factor	0.11511
Rwork	0.113
R-free	0.15813
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pga
RMSD bond length	0.016
RMSD bond angle	1.850
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.800	1.434
High resolution limit [Å]	1.400	1.398
Rmerge	0.100
Number of reflections	44547	932
<I/σ(I)>	7.8
Completeness [%]	90.0	25.89
Redundancy	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	80 mM acetic acid pH 3.6, 20 mM acetic acid pH 5.8, 30% 2,4-methylpentanediol, 200 mM NaCl and 20 mM zinc sulfate