1I2R

CRYSTAL STRUCTURE OF ESCHERICHIA COLI TRANSALDOLASE B MUTANT S176A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1996-11-14
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	69.130, 91.875, 131.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.000 - 2.100
R-factor	0.183
Rwork	0.183
R-free	0.20300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1onr
RMSD bond length	0.005
RMSD bond angle	1.100
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.055	0.301
Total number of observations	392257 *
Number of reflections	48519
<I/σ(I)>	16	2.5
Completeness [%]	98.0	91.6
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	used microseeding, Jia, J., (1996) Acta Crystallogr., Sect.D, 52, 192. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG6000	11-13 (%(w/w))
3	1	reservoir	sodium citrate	0.1 (M)