2Y0D

BceC mutation Y10K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	101.622, 109.250, 183.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.630 - 2.800
R-factor	0.21
Rwork	0.212
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE BCEC WITH TYR 10 TRUNCATED TO ALA
RMSD bond length	0.013
RMSD bond angle	1.416
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.830	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.220	0.440
Number of reflections	50832
<I/σ(I)>	2.8	1.7
Completeness [%]	99.8	100
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	AT 293 K UPON VAPOR DIFFUSION OF SITTING DROPS OF 1 MICRO-LITER PROTEIN SOLUTION (5 MG/ML PROTEIN, 25 MM TRIS-HCL PH 8.3, 50 MM NACL, 2.5 MM DTT, 0.25 MM UDP-GLCA, AND 0.5 MM OXIDIZED NAD), AND 1 MICRO-LITER WELL SOLUTION (200 MM AMMONIUM SULFATE, 100 MM SODIUM ACETATE PH 4.5, 11-14 % (W/V) PEG 4K, AND 50 MM NAF), EQUILIBRATED AGAINST 500 MICRO-LITER PRECIPITATION SOLUTION IN THE WELL.