7E9D

H102A mutant of IRG1 from bacillus

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]	110
Detector technology	PIXEL
Collection date	2020-08-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	58.911, 110.779, 168.564
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.350 - 1.890
R-factor	0.1735
Rwork	0.172
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bra
RMSD bond length	0.006
RMSD bond angle	0.774
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.890	1.890
Number of reflections	85234	85146
<I/σ(I)>	18.7
Completeness [%]	95.6
Redundancy	9.8
CC(1/2)	0.999	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	1.4M ammonium sulfate, 0.1M CAPS pH 10.2, 0.2M lithium sulfate