1VMI

Crystal structure of Putative phosphate acetyltransferase (np_416953.1) from Escherichia coli k12 at 2.32 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-08-24
Detector	ADSC
Spacegroup name	P 63 2 2
Unit cell lengths	95.307, 95.307, 175.512
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.260 - 2.320
R-factor	0.1968
Rwork	0.194
R-free	0.24746
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.533
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	autoSHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.260	2.450
High resolution limit [Å]	2.320	2.320
Number of reflections	21138
<I/σ(I)>	13.3	2.1
Completeness [%]	99.9	100
Redundancy	5	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	9.5	277	1.26M (NH4)2SO4, 0.2M NaCl, 0.1M CHES pH 9.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	9.5	277	1.26M (NH4)2SO4, 0.2M NaCl, 0.1M CHES pH 9.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	9.5	277	1.26M (NH4)2SO4, 0.2M NaCl, 0.1M CHES pH 9.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K