6M4J

SspA in complex with cysteine

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	173
Detector technology	PIXEL
Collection date	2016-04-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9789
Spacegroup name	P 63 2 2
Unit cell lengths	132.264, 132.264, 152.636
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	114.540 - 1.800
R-factor	0.167
Rwork	0.166
R-free	0.19020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vax
RMSD bond length	0.012
RMSD bond angle	1.765
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	115.000	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	72776	11922
<I/σ(I)>	5.3
Completeness [%]	100.0
Redundancy	12.5
CC(1/2)	0.962	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	287.15	1.8M ammonium citrate, pH 7.0