9CQH

CRYSTAL STRUCTURE OF APO CLEAVED N-TERNMINAL HIS-TAG GAGA-DOG HSP47(36-418) IN A C 2 CRYSTAL FORM

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-24
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	180.037, 115.493, 187.534
Unit cell angles	90.00, 106.80, 90.00

Refinement procedure

Resolution	28.870 - 2.006
R-factor	0.2346
Rwork	0.234
R-free	0.25430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.020
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	179.535	179.535	2.278
High resolution limit [Å]	2.006	6.440	2.006
Rmerge	0.087	0.045	0.656
Rmeas	0.105	0.054	0.785
Rpim	0.058	0.029	0.427
Total number of observations	486247	24824	24531
Number of reflections	150858	7542	7544
<I/σ(I)>	8.24	20.32	1.83
Completeness [%]	92.1	98.9	60.7
Completeness (spherical) [%]	61.5	98.9	9.7
Completeness (ellipsoidal) [%]	92.1	98.9	60.7
Redundancy	3.22	3.29	3.25
CC(1/2)	0.996	0.996	0.662
Anomalous completeness (spherical)	54.5	96.2	6.1
Anomalous completeness	82.1	96.2	38.9
Anomalous redundancy	1.7	1.7	1.8
CC(ano)	0.018	0.059	-0.032
|DANO|/σ(DANO)	0.8	0.7	0.8

Diffraction limits	Principal axes of ellipsoid fitted to diffraction cut-off surface
2.006 Å	0.901, 0.901, 0.901
2.387 Å	0.000, 0.000, 0.000
2.547 Å	-0.434, -0.434, -0.434
Criteria used in determination of diffraction limits	local <I/sigmaI> ≥ 1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	100 mM MMT, pH 8.5, 25% (w/v) PEG 3350, 500 mM Lithium Sulfate