1JB1

Lactobacillus casei HprK/P Bound to Phosphate

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-23
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9393, 0.9792, 0.9790
Spacegroup name	P 63 2 2
Unit cell lengths	107.738, 107.738, 66.498
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.235 *
Rwork	0.235
R-free	0.28800
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	3.050
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	MADSYS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.051	0.426
Total number of observations	56655 *
Number of reflections	5892
<I/σ(I)>	5.1	2
Completeness [%]	99.3	100
Redundancy	6.5	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	18 *	ammonium phosphate, sodium citrate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	5.2	18 *	ammonium phosphate, sodium citrate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	mono-ammonium dihydrogen phosphate	1 (M)
2	1	reservoir	tri-sodium citrate dihydrate	400 (M)
3	1	drop	protein	5 (mg/ml)