7E8N

Crystal structure of Type II citrate synthase (HyCS) from Hymenobacter sp. PAMC 26554

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	134.339, 166.168, 135.335
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.580 - 2.200
R-factor	0.1923
Rwork	0.190
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tvm
RMSD bond length	0.009
RMSD bond angle	1.572
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.073	0.342
Number of reflections	76885	3807
<I/σ(I)>	47.2
Completeness [%]	99.8
Redundancy	7.9
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium cacodylate, HCl (pH 6.5), 1 M sodium citrate tribasic