6ESX

Caulobacter crescentus Trx1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.980
Spacegroup name	P 65
Unit cell lengths	85.100, 85.100, 105.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.862 - 2.797
R-factor	0.1916
Rwork	0.188
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i4a
RMSD bond length	0.009
RMSD bond angle	1.216
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.862	2.970
High resolution limit [Å]	2.797	2.797
Rmeas	0.166	1.120
Number of reflections	10727	1732
<I/σ(I)>	2.1	1.8
Completeness [%]	99.6	99.2
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M sodium citrate pH 5.6; 20% 2-propanol; 20% PEG 4000