5MIT

Crystal Structure of Lactococcus lactis Thioredoxin Reductase Exposed to Visible Light (240 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	2015-10-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	120.690, 120.690, 60.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.030 - 1.800
R-factor	0.1956
Rwork	0.194
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f6m
RMSD bond length	0.019
RMSD bond angle	2.089
Data reduction software	iMOSFLM
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.340	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.134	1.783
Number of reflections	41558
<I/σ(I)>	14.6	1.5
Completeness [%]	99.8	98.9
Redundancy	13.5	10.7
CC(1/2)	0.999	0.317

Crystallization Conditions

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