9QM7

Crystal structure of S-nitrosylated triose phosphate isomerase from Chlamydomonas reinhardtii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	C 2 2 21
Unit cell lengths	59.893, 93.361, 100.499
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.590 - 1.200
R-factor	0.1585
Rwork	0.158
R-free	0.16910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.474
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19rc7_4070: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.590	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.044	0.123
Rmeas	0.046	0.128
Rpim	0.014	0.036
Number of reflections	88037	4311
<I/σ(I)>	42.2	15.7
Completeness [%]	100.0	100
Redundancy	12.1	13
CC(1/2)	0.998	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	50%-55% v/v MPD, 0.1 M Hepes-NaOH (pH 7.5)