2V2A

L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUTANT 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	P 4 21 2
Unit cell lengths	106.302, 106.302, 56.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 1.750
R-factor	0.149
Rwork	0.147
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ojr
RMSD bond length	0.010
RMSD bond angle	1.253
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]	20.000	1.830
High resolution limit [Å]	1.750	1.750
Rmerge	0.060	0.100
Number of reflections	30749
<I/σ(I)>	23.03	11.35
Completeness [%]	92.6	44.6
Redundancy	7	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	40% (V/V) 1,2-PROPANEDIOL, 50 MM CA ACETATE, 100 MM ACETATE BUFFER (PH 4.5)