1RLO

Phospho-aspartyl Intermediate Analogue of ybiV from E. coli K12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-09
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	71.276, 91.195, 176.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.850 - 2.000
R-factor	0.219
Rwork	0.219
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rlm
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	78528
<I/σ(I)>	35	13.2
Completeness [%]	100.0	100
Redundancy	5.5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.3	298	PEG 8000, sodium acetate, cacodylic acid, beryllium chloride, magnesium chloride, sodium fluoride, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.3	298	PEG 8000, sodium acetate, cacodylic acid, beryllium chloride, magnesium chloride, sodium fluoride, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K