2V2B

L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUTANT E117S- E192A-K248G-R253A-E254A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	I 4
Unit cell lengths	84.230, 84.230, 91.747
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.350 - 1.500
R-factor	0.167
Rwork	0.166
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ojr
RMSD bond length	0.010
RMSD bond angle	1.395
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.560
High resolution limit [Å]	1.500	1.500
Rmerge	0.040	0.320
Number of reflections	44912
<I/σ(I)>	17.05	2.72
Completeness [%]	87.9	78.5
Redundancy	3.93	2.51

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5		40% (V/V) 1,2-PROPANEDIOL, 50 MM CA ACETATE, 100 MM ACETATE BUFFER (PH 4.5)