6ETB

Aerobic S262Y mutation of E. coli FLRD core

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	I 1 2 1
Unit cell lengths	89.383, 64.407, 147.254
Unit cell angles	90.00, 91.09, 90.00

Refinement procedure

Resolution	75.758 - 1.905
R-factor	0.1998
Rwork	0.200
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4d02
RMSD bond length	0.018
RMSD bond angle	0.560
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (dev_1436)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.830
High resolution limit [Å]	1.900	1.900
Rmerge	0.113
Rmeas	0.137	0.863
Rpim	0.075	0.431
Number of reflections	57099
<I/σ(I)>	5.2
Completeness [%]	80.7	88.7
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293.15	1.0 UL OF PROTEIN AT 15 MG/ML WITH 2.0 UL OF CRYSTALLIZATION SOLUTION (0.1 M SODIUM CITRATE PH 5.6, 20% (W/V) PEG 4000 AND 20% (V/V) 2-PROPANOL)