1NRZ

Crystal structure of the IIBSor domain of the sorbose permease from Klebsiella pneumoniae solved to 1.75A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-20
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-10-08
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	64.848, 85.311, 67.815
Unit cell angles	90.00, 103.02, 90.00

Refinement procedure

Resolution	30.000 * - 1.750
R-factor	0.21731
Rwork	0.216
R-free	0.24400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1BLE cut down to common atoms
RMSD bond length	0.009
RMSD bond angle	1.340 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.051	0.235
Number of reflections	68518 *
<I/σ(I)>	9.5	3.1
Completeness [%]	99.6	99.8
Redundancy	2.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	19-25% PEG 8000, 0.2M ammonium sulphate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14-19 (mg/ml)
2	1	reservoir	ammonium sulfate	0.2 (M)
3	1	reservoir	PEG8000	21 (%(w/v))