2V9F

L-RHAMNULOSE-1-PHOSPHATE ALDOLASE FROM ESCHERICHIA COLI (MUTANT E192A- K248W-A273S)

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	92.832, 92.832, 77.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.990 - 2.100
R-factor	0.185
Rwork	0.185
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ojr
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.100	2.100
Rmerge	0.100	0.280
Number of reflections	17559
<I/σ(I)>	14.68	5.05
Completeness [%]	91.6	49.7
Redundancy	7.4	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.2		40% (V/V) PEG 400, 0.1 M HEPES (PH 7.5), 0.2 M CALCIUM ACETATE