7MFJ

Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	91.801, 91.801, 140.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.403 - 2.351
Rwork	0.171
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pmu
RMSD bond length	0.007
RMSD bond angle	1.433
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.390
High resolution limit [Å]	2.350	2.350
Rmerge	0.098	0.429
Rmeas	0.127	0.472
Rpim	0.037	0.147
Number of reflections	25330	1249
<I/σ(I)>	17.5	5
Completeness [%]	99.1	100
Redundancy	11.5	9.8
CC(1/2)	0.941	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	0.1 M Sodium malonate pH 6, 12% PEG 3350