1UU1

Complex of Histidinol-phosphate aminotransferase (HisC) from Thermotoga maritima (Apo-form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2003-08-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	53.610, 136.519, 92.815
Unit cell angles	90.00, 95.19, 90.00

Refinement procedure

Resolution	20.000 * - 2.380
R-factor	0.206
Rwork	0.206
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h1c
RMSD bond length	0.011
RMSD bond angle	1.478 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.450
High resolution limit [Å]	2.350	2.350
Rmerge	0.089 *	0.474
Total number of observations	120299 *
Number of reflections	49556
<I/σ(I)>	12.7	4.22
Completeness [%]	90.6	91.3
Redundancy	2.3 *	2.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *	20 *	pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	10 (mM)	pH7.5
2	1	drop	dithiothreitol	10 (mM)
3	1	drop	EDTA	2 (mM)
4	1	drop	protein	35 (mg/ml)
5	1	reservoir	ethylene glycol	50 (%(v/v))
6	1	reservoir	PEG1000	5 (%(w/v))	pH5.1
7	1	reservoir	sodium acetate