6NL6

Crystal structure of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-06-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.00002
Spacegroup name	P 32
Unit cell lengths	48.292, 48.292, 83.341
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.380 - 1.400
R-factor	0.14859
Rwork	0.145
R-free	0.21447
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pga
RMSD bond length	0.037
RMSD bond angle	3.177
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.380	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.100	0.290
Number of reflections	42380	2092
<I/σ(I)>	7.8
Completeness [%]	95.7	70.44
Redundancy	9.9	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	70 mM acetic Acid pH 3.6, 30 mM acetic acid pH 5.8, 30% 2,4-methylpentanediol, 100 mM NaCl, and 20 mM zinc sulfate