6Q6V

Crystal structure (trigonal form) of C36S mutant of thioredoxin h1 from Chlamydomonas reinhardtii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	48.742, 48.742, 143.187
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.210 - 1.220
R-factor	0.1685
Rwork	0.168
R-free	0.17430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ep7
RMSD bond length	0.007
RMSD bond angle	1.079
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.210	1.240
High resolution limit [Å]	1.220	1.220
Rmerge	0.063	1.108
Rmeas	0.074	1.311
Rpim	0.028	0.507
Number of reflections	59565	2934
<I/σ(I)>	14.7	1.7
Completeness [%]	99.7	98.7
Redundancy	6.8	6.6
CC(1/2)	0.998	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10% (w/v) PEG 8K, 10% (w/v) PEG 10K, 0.1 M HEPES