7P9E

Chlamydomonas reinhardtii NADPH Dependent Thioredoxin Reductase 1 domain CS mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976244
Spacegroup name	C 1 2 1
Unit cell lengths	84.149, 80.299, 95.636
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	49.650 - 2.360
R-factor	0.1816
Rwork	0.178
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7p9d
RMSD bond length	0.008
RMSD bond angle	0.982
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.650	2.444
High resolution limit [Å]	2.360	2.360
Number of reflections	26332	2608
<I/σ(I)>	14.3
Completeness [%]	99.7	99.5
Redundancy	6.8
CC(1/2)	0.997	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277.15	20% PEG 500*MME, 10% PEG 20000, 0.1M Sodium HEPES/ MOPS (acid), 0.1M Carboxylic acids