5MJK

Crystal Structure of Lactococcus lactis Thioredoxin Reductase (FO conformation)

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	2014-11-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	73.610, 132.260, 73.500
Unit cell angles	90.00, 112.62, 90.00

Refinement procedure

Resolution	47.360 - 2.000
R-factor	0.2322
Rwork	0.230
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gcm
RMSD bond length	0.015
RMSD bond angle	1.699
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.360	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.088	0.826
Number of reflections	86685
<I/σ(I)>	12.18	1.82
Completeness [%]	99.0	98.4
Redundancy	3.9	3.9
CC(1/2)	0.997	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	20% PEG4000, 400 mM Li2SO4. DTT added (20 mM DTT final in drop)