5MIQ

Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (60 min)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97898
Spacegroup name	P 41 21 2
Unit cell lengths	121.460, 121.460, 60.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.940 - 1.920
R-factor	0.1964
Rwork	0.195
R-free	0.22760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f6m
RMSD bond length	0.019
RMSD bond angle	2.033
Data reduction software	XDS (November 3, 2014)
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (6.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.950	1.970
High resolution limit [Å]	1.920	1.920
Rmerge	0.096	1.461
Number of reflections	35159
<I/σ(I)>	15.69	1.18
Completeness [%]	99.6	99.8
Redundancy	7.4	6.3
CC(1/2)	0.999	0.495

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	35% PEG 1500, 400 mM Li2SO4, 20 mM HEPES