4I9E

Crystal structure of Aspartyl phosphate phosphatase F from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.931
Spacegroup name	P 31 2 1
Unit cell lengths	97.210, 97.210, 203.155
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	84.210 - 2.400
R-factor	0.20361
Rwork	0.202
R-free	0.23999
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.793
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.535	2.360
High resolution limit [Å]	2.249	2.250
Rmerge	0.093	0.740
Number of reflections	53443
<I/σ(I)>	12.7	2.4
Completeness [%]	99.7	98.1
Redundancy	5.3	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	294	1.2M ammonium sulphate, 0.5M lithium chloride, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 294K
1	VAPOR DIFFUSION, SITTING DROP	8	294	1.2M ammonium sulphate, 0.5M lithium chloride, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 294K