2Y0C

BceC mutation Y10S

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	97.358, 108.620, 187.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.320 - 1.750
R-factor	0.1649
Rwork	0.163
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE BCEC PDB ENTRY 2Y0E WITH TYR 10 TRUNCATED TO ALA.
RMSD bond length	0.010
RMSD bond angle	1.299
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.400	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.080	0.470
Number of reflections	217359
<I/σ(I)>	7.6	2
Completeness [%]	99.8	100
Redundancy	3.7	3.7

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.