6LON

Crystal structure of HPSG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	193.15
Detector technology	PIXEL
Collection date	2019-06-13
Detector	DECTRIS PILATUS3 R CdTe 300K
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	92.917, 219.401, 213.141
Unit cell angles	90.00, 98.04, 90.00

Refinement procedure

Resolution	36.248 - 2.200
R-factor	0.143
Rwork	0.143
R-free	0.17900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ymr
RMSD bond length	0.011
RMSD bond angle	1.087
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.198	5.970	2.200
Rmerge	0.086	0.033	0.442
Rmeas	0.102	0.039	0.525
Rpim	0.055	0.021	0.281
Number of reflections	213322	10759	10633
<I/σ(I)>	3.7
Completeness [%]	99.9	99.6	99.9
Redundancy	3.4	3.4	3.4
CC(1/2)		0.998	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2M sodium acetate, 0.1M Bis-Tris propane, pH 6.5, 16% (w/v) PEG 3350, 500mM DHPS