9NGH

Cg10062 E114N mutant with acetylenecarboxylic acid

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-21
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.98
Spacegroup name	P 41 3 2
Unit cell lengths	146.162, 146.162, 146.162
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.450 - 2.920
R-factor	0.2579
Rwork	0.252
R-free	0.31170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.206
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Rpim	0.056	0.664
Number of reflections	17302	843
<I/σ(I)>	13.5
Completeness [%]	99.8
Redundancy	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	2% v/v TacsimateTM pH 5.0 5% w/v PEG 3,350